56-53-1
Diethylstilbestrol
CAS: 56-53-1;6898-97-1
Molecular Formula: C18H20O2
56-53-1 - Names and Identifiers
| Name | Diethylstilbestrol |
| Synonyms | OeKolp NSC-3070 Atovaquone Oestromenin oestrolvetag Stilboestrol Oestrol vetag New-Estranol 1 neo-oestranol1 neo-oestranoli Diethylstilbestrol Diethylstilbestrol BP a,a-Diethyl-4,4-Stilbenediol Carc. 4,4'-(3Z)-hex-3-ene-3,4-diyldiphenol 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol Diethylstilbestrol,mixture of cis and trans diethylstilbestrol, mixture of cis and trans |
| CAS | 56-53-1 6898-97-1 |
| EINECS | 200-278-5 |
| InChI | InChI=1/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17- |
56-53-1 - Physico-chemical Properties
| Molecular Formula | C18H20O2 |
| Molar Mass | 268.35 |
| Density | 1.1096 (rough estimate) |
| Melting Point | 170-172°C(lit.) |
| Boling Point | 351.51°C (rough estimate) |
| Flash Point | 187°C |
| Water Solubility | PRACTICALLY INSOLUBLE |
| Solubility | PRACTICALLY INSOLUBLE |
| Vapor Presure | 3.29E-07mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | White to almost white |
| Merck | 13,3155 |
| BRN | 2056095 |
| pKa | pKa 9.02(H2O t=25 I=0.025) (Uncertain) |
| Storage Condition | 2-8°C |
| Stability | Isomerizes rapidly in Benzene, Chloroform, and Ether.Keep Shielded from light. |
| Refractive Index | 1.4800 (estimate) |
| MDL | MFCD00002373 |
| Use | Hormone drugs |
56-53-1 - Risk and Safety
| Risk Codes | R45 - May cause cancer R61 - May cause harm to the unborn child R36/37/38 - Irritating to eyes, respiratory system and skin. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S53 - Avoid exposure - obtain special instructions before use. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 3 |
| RTECS | WJ5600000 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29072990 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
| Toxicity | LD50 oral in rat: > 3gm/kg |
56-53-1 - Reference
| Reference Show more | 1. [IF=3.591] Xuemei Wang et al."Application of ZIF-8–graphene oxide sponge to a solid phase extraction method for the analysis of sex hormones in milk and milk products by high-performance liquid chromatography."New J Chem. 2019 Feb;43(6):2783-2789 2. [IF=4.616] Lixia Lu et al."Establishment of an immunofiltration strip for the detection of 17β-estradiol based on the photothermal effect of black phosphorescence."Analyst. 2019 Nov;144(22):6647-6652 3. [IF=2.137] Xiaolian Lin et al."Interaction between laccase and diethylstilbestrol based on multispectral and chromatography analyses."Journal Of Molecular Recognition. 2022 Jan 04 |
56-53-1 - Standard
Authoritative Data Verified Data
This product is (E)-4,4 '-(1, 2-diethyl-1, 2-vinylidene) bisphenol. Calculated as dry product, the content of C18H202 should be 97.0% ~ 103.0%.
Last Update：2024-01-02 23:10:35
56-53-1 - Trait
Authoritative Data Verified Data
- This product is colorless crystal or white crystalline powder; Almost odorless.
- This product is soluble in methanol, soluble in ethanol, ether or fatty oil, slightly soluble in chloroform, almost insoluble in water; Dissolved in dilute sodium hydroxide solution.
melting point
The melting point of this product (General 0612) is 169~1721.
Last Update：2022-01-01 11:31:08
56-53-1 - Differential diagnosis
Authoritative Data Verified Data
- take about 10mg of this product, add 1 ml sulfuric acid to dissolve, the solution shows orange yellow (hexane estrol is light yellow); Add 10ml water to dilute, orange yellow will disappear.
- in the chromatogram recorded under the content determination item, the retention time of the two main peaks of the test solution should be consistent with the retention time of the corresponding two main peaks of the control solution.
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 28).
Last Update：2022-01-01 11:31:09
56-53-1 - Exam
Authoritative Data Verified Data
pH
after 0.10% of this product is taken and 70% ethanol is added, the solution should show neutral reaction when it meets litmus paper.
Related substances
take this product, add ethanol-water (1:1) to dissolve and dilute to make a solution containing about 0.5mg per 1ml as a test solution; Take 1ml for precision measurement, in a 50ml measuring flask, dilute to the scale with ethanol-water (1:1) and shake to a control solution. According to the chromatographic conditions under the content determination item, take 10ul of the test solution and the control solution, respectively, and inject the human liquid chromatograph, record chromatogram to diethylstilbestrol cis-peak retention time of 2 times. If there are no more than 4 impurity peaks in the chromatogram of the test solution, the Peak area of a single impurity shall not be greater than 1.26 times of the CIS-body Peak area of diethylstilbestrol and 0.5 times (1.0%) of the sum of the Trans-body Peak area of diethylstilbestrol in the control solution, the sum of each impurity peak area shall not be greater than 1.26 times of the CIS-body Peak area of diethylstilbestrol and 0.75 times (1.5%) of the sum of the Trans-body Peak area of diethylstilbestrol in the control solution.
loss on drying
take this product, dry to constant weight at 105°C, weight loss shall not exceed 0.5% (General rule 0831).
ignition residue
not more than 0.1% (General rule 0841).
Last Update：2022-01-01 11:31:09
56-53-1 - Content determination
Authoritative Data Verified Data
measured by high performance liquid chromatography (General 0512).
chromatographic conditions and system suitability test
silica gel bonded with eighteen alkyl silane was used as a filler; Methanol-water (80:20) was used as a mobile phase; And the detection wavelength was 254mn. Take about 10 mg of the diethylstilbestrol reference, add 50ml of trimethyl methane to dissolve, place in the dark for not less than 5 hours, measure 5.0 ml, volatilize the chloroform, and the residue (cis and trans forms of diethylstilbestrol) 25ml of ethanol-water (1: 1) was added to dissolve. Lol was injected into the liquid chromatograph, and the chromatogram was recorded. The order of peaks was diethylstilbestrol trans peak and diethylstilbestrol CIS peak. The theoretical plate number should be no less than 1000 according to the calculation of diethylstilbestrol trans peak, and the degree of separation between trans peak and CIS peak of diethylstilbestrol should be greater than 5.0.
assay
take this product, precision weighing, plus ethanol-water (1:1) dissolved and quantitative dilution made in each lml containing about 0.lmg solution, as a test solution, the precision children take lol injection liquid chromatograph, record the chromatogram; Another diethylstilbestrol reference substance, the same method for determination, according to the external standard method, the sum of the CIS-body Peak area of diethylstilbestrol 1.26 times and trans-body Peak area of diethylstilbestrol was obtained.
Last Update：2022-01-01 11:31:10
56-53-1 - Category
Authoritative Data Verified Data
estrogen drugs.
Last Update：2022-01-01 11:31:10
56-53-1 - Storage
Authoritative Data Verified Data
light shielding, sealed storage.
Last Update：2022-01-01 11:31:11
56-53-1 - Diethylstilbestrol Tablets
Authoritative Data Verified Data
This product contains diethylstilbestrol (C18H2002) should be 90.0% ~ 110.0% of label.
trait
This product is white tablet.
identification
- take an appropriate amount of the fine powder of this product (about 20mg equivalent to diethylstilbestrol), put it in a separatory funnel, add 15ml of water containing 2 drops of hydrochloric acid, and then extract it by shaking with 30ml of diethyl ether, the residue was evaporated to dryness and the same reaction was shown according to the test of item (1) for identification of diethylstilbestrol.
- in the chromatogram recorded under the content determination item, the retention time of the two main peaks of the test solution should be consistent with the retention time of the corresponding two main peaks of the control solution.
examination
- Content uniformity: Take 1 tablet of this product, place it in mortar for fine grinding, add appropriate amount of ethanol-water (1:1), grind it, and transfer it to 25ml measuring flask in portions with the above solvent, ultrasonic dissolution of diethylstilbestrol, cool, dilute to the scale with the above solvent, shake, filter, and take the filtrate as the test solution; Take the other diethylstilbestrol reference substance, sugar, add the above solvent to dissolve and quantitatively dilute to make the solution with the same concentration as the test solution, as the reference solution, take the test solution and the reference solution, the content shall be determined and calculated according to the method under the item including children's determination, and shall comply with the regulations (General rule 2941).
- dissolution: according to the dissolution and release determination method (General rule 0931 method), 0.1% sodium dodecyl sulfate solution is used as the dissolution medium, and the rotation speed is 50 rpm, after 45 minutes, take the appropriate amount of the solution, filter, and take the filtrate as the test solution; Another precision weigh the diethylstilbestrol reference about 10 mg, put it in a 250ml measuring flask, add ethanol-water (1:1) dissolve and dilute to the scale, shake, take appropriate amount with precision, dilute with dissolution medium to make about 2ug(0.5mg specification), 4ug(lmg specification) per lml, 8ug(2mg specification), 12ug(3mg specification) solution, as a reference solution. According to the method under the content determination item, take 50ul of each of the test solution and the reference solution, respectively inject the human liquid chromatograph, record the chromatogram, the dissolution amount of each tablet was calculated as the sum of the peak area 1.26 times of the peak area of diethylstilbestrol cis body and the peak area of diethylstilbestrol trans body according to the external standard method. The limit is 75% of the labeled amount and shall be in accordance with the provisions.
- others shall be in accordance with the relevant provisions under the item of tablets (General rule 0101).
Content determination
Take 20 tablets of this product, precision weighing, fine grinding, precision weighing appropriate amount, add ethanol-water (1:1) appropriate amount, ultrasonic dissolution of diethylstilbestrol, cool, quantitative dilution with the above solvent to make about 0 ml per 1 ml. 1 mg of the solution is filtered, and the continued filtrate is taken as the test solution, and 10ul of the precise amount is taken, measured and calculated according to the method under the item of diethylstilbestrol content measurement.
category
with diethylstilbestrol.
specification
(1)0.5mg (2)lmg (3)2mg (4)3mg
storage
light shielding, sealed storage.
Last Update：2022-01-01 11:31:12
56-53-1 - Diethylstilbestrol Injection
Authoritative Data Verified Data
This product is a sterile oil solution of diethylstilbestrol. The content of diethylstilbestrol (C18H2002) shall be between 90.0% and 110.0% of the labeled amount.
trait
This product is a yellowish to yellowish clear oily liquid.
identification
In the chromatogram recorded under the content determination item, the retention time of the two main peaks of the test solution should be consistent with the retention time of the corresponding two main peaks of the control solution.
examination
- the amount of related substances should be accurately measured with a volume pipette, then the product should be dissolved with diethyl ether and diluted into a solution containing about 0.5mg of diethylstilbestrol per 1 ml, put the plug in the centrifuge tube, put the warm water bath to make the ether volatilize (the size of the sample is lml:0.5mg directly take 5ml of this product, put the plug in the centrifuge tube, wash the inner wall of the pipette with ether fractional times, the washing liquid was mixed with a centrifuge tube, and the mixture was placed on a warm water bath to volatilize the ether. The mixture was extracted with methanol by shaking for 5 times (5ml for the 1st to 4th times and 3ml for the 5th time), after shaking for 10 minutes each time, centrifuge for 15 minutes, combine the methanol extract, put it in a 25ml measuring flask, dilute it to the scale with methanol, shake it well, and use it as a test solution, set in a 50ml measuring flask, dilute to the mark with fermentation broth, shake well, and serve as a control solution. The test was performed according to the method under diethylstilbestrol related substances. If there are impurity peaks in the chromatogram of the test solution, the area of a single impurity peak shall not be greater than 1.26 times of the CIS-body Peak area of diethylstilbestrol and 0.5 times (1.0%) of the sum of the Trans-body Peak area of diethylstilbestrol in the control solution, the sum of the peak areas of each impurity shall not be greater than 1.26 times of the CIS-body Peak area of diethylstilbestrol and the sum of trans-body Peak area of diethylstilbestrol in the control solution (2.0%).
- others should comply with the relevant provisions under injection (General 0102).
Content determination
take an appropriate amount of this product with an internal volume pipette, dissolve it with diethyl ether and quantitatively dilute it to make a solution containing about 0.2mg of diethylstilbestrol per 1ml, shake it well, and place it in a centrifuge tube with a plug in a 5ml amount of precision, the ether was evaporated in a warm water bath, and extracted 5 times by shaking with methanol (5ml for the 1st to 4th times, 3ml for the 5th time), and centrifuged for 15 minutes after shaking for 10 minutes each time, combine the methanol extract, put it in a 25ml measuring flask, dilute it to the scale with methanol, shake it, and use it as a test solution, according to the chromatographic conditions under the item of diethylstilbestrol content determination, A 10ul injection liquid chromatograph was used for precise measurement, and the chromatogram was recorded. Another reference substance of diethylstilbestrol was used for precise weighing, dissolving with methanol and quantitatively diluting to prepare a solution containing about 40ug per 1ml, which was determined by the same method. According to the external standard method to diethylstilbestrol cis body Peak area of 1.26 times and trans body Peak area and calculation, that is.
category
with diethylstilbestrol.
specification
(l) lml:0.5mg (2)lml:lmg (3)lml:2mg⑷ lml:3mg
storage
light shielding, closed storage.
Last Update：2022-01-01 11:31:13
56-53-1 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| (IARC) carcinogen classification | 1 (Vol. 21, Sup 7, 100A) 2012 |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| pharmacological effects | Diethylstilbestrol is a synthetic non-steroidal estrogen, which can inhibit the secretion of pituitary gonadotropin, so as to change the hormone balance in the body, destroy the conditions of tumor tissue growth and development. |
| indication | diethylstilbestrol indication: 1. Supplement estrogen deficiency, such as atrophic vaginitis, female gonadal dysplasia, menopausal syndrome, senile vulvar dryness and vaginitis, after ovariectomy, primary ovarian deficiency; 2. Breast cancer, postmenopausal and male advanced breast cancer, can not be operated on; 3. Advanced prostate cancer, inoperable patients; 4. Prevention of postpartum lactation. |
| drug interaction | 1 when used with anticoagulants, estrogen can reduce the anticoagulant effect, anticoagulant dosage should be adjusted. 2 simultaneous use with carbamazepine, phenobarbital, phenytoin sodium, primidone, and rifampicin reduced the estrogenic effect due to induction of liver microsomal enzymes and increased estrogen metabolism. 3 with the simultaneous use of tricyclic antidepressants, a large amount of estrogen can enhance the adverse reactions of antidepressants, while reducing its due effect. 4 with antihypertensive drugs at the same time, can reduce the role of antihypertensive. 5 decreased the therapeutic effect of tamoxifen. 6 increased absorption of calcium. |
| Use | anabolic steroids, combined with potent estrogen activity, are carcinogenic. Diethylstilbestrol has also been used in animal production to accelerate its growth rate, and excessive residues of diethylstilbestrol in poultry or fish may cause harm to consumers. Therefore, diazepam has been banned from food production. The EU requires 2ppb as a positive lower limit. It is a hormone medicine, which is mainly used for functional bleeding and amenorrhea caused by estrogen deficiency and hormone imbalance. It can also be used before induced labor of dead fetus to improve the sensitivity of myometrium to oxytocin. synthetic estrogens with carcinogenic properties. Causes clear cell renal cell carcinoma in Syrian hamsters. In humans will result in increased breast cancer, clear cell adenocarcinoma of the vagina and cervix (CCA), and reproductive abnormalities. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:51
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