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Simvastatin ammonium salt

Simvastatin ammonium salt

CAS: 139893-43-9

Molecular Formula: C25H43NO6

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Simvastatin ammonium salt - Names and Identifiers

Name Simvastatin ammonium salt
Synonyms Simvastatin impurity A
Simvastatin ammonium salt
SIMVASTATIN AMMONIUM SALT
Simvastatin acid ammonium salt
SIMVASTATIN HYDROXY ACID, AMMONIUM SALT
Simvastatin hydroxyl acid ammonium salt
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a
Ammonium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutyryloxy)-1,2,6,7,8,8a-hexahydro-2,6-dimethyl-1-naphthyl]-3,5-dihydroxyheptanoate
(3R,5R)-7-((1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate ammonium salt
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-,d-dihydroxy-2,6-dimethyl-, monoammonium salt, (R,dR,1S,2S,6R,8S,8aR)-
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-,d-dihydroxy-2,6-dimethyl-, monoammonium salt, (R,dR,1S,2S,6R,8S,8aR)- (9CI)
CAS 139893-43-9
EINECS 1533716-785-6

Simvastatin ammonium salt - Physico-chemical Properties

Molecular FormulaC25H43NO6
Molar Mass453.61
Melting Point128-131°C
Water Solubility3.3g/L at 20℃
Solubility DMSO (Sparingly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly)
Vapor Presure0.001Pa at 25℃
AppearanceSolid
ColorWhite to Off-White
BRN4836426
Storage Condition-20°C
In vitro study There is a pH-dependent effect on organic anion transporting polypeptide 3A1 (OATP3A1) uptake, with more efficient simvastatin acid uptake at pH5.5 in HEK293 cells transfected with the OATP3A1 gene. The Michaelis-Menten constant (Km) for simvastatin acid uptake by OATP3A1 was 0.017 μM and the Vmax was 0.995 fmol/min/105 cells.

Simvastatin ammonium salt - Risk and Safety

Risk CodesR36/37/38 - Irritating to eyes, respiratory system and skin.
R64 - May cause harm to breast-fed babies
R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R40 - Limited evidence of a carcinogenic effect
R61 - May cause harm to the unborn child
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S24/25 - Avoid contact with skin and eyes.
S22 - Do not breathe dust.
S53 - Avoid exposure - obtain special instructions before use.
WGK Germany3

Simvastatin ammonium salt - Reference

Reference
Show more
1. [IF=1.902] Yu Zhang et al."A Validated LC-MS/MS Method for Simultaneous Quantification of Simvastatin and Simvastatin Acid in Beagle Plasma: Application to an Absolute Bioavailability Study."Biomedical Chromatography. 2021 Dec 01

Simvastatin ammonium salt - Reference Information

LogP0.28 at 25℃
biological activity Simvastatin ammonium is an active metabolite formed by CYP3A4/5 mediated in intestinal wall and liver simvastatin lactone metabolism (pKa = 5.5). Simvastatin ammonium reduces indole sulfate-mediated reactive oxygen species and regulates OATP3A1 expression in cardiomyocytes and HEK293 cells transfected with OATP3A1 genes.
Last Update:2024-04-09 21:32:03
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Shanghai Yuanye Bio-Technology Co., Ltd.
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CAS: 139893-43-9
Tel: 18301782025
Email: 3008007409@qq.com
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View History
Simvastatin ammonium salt
UVA PLUS
Silicon(IV) chloride
Nonane diacetate
Silicon carbide
Sandocryl Golden Yellow B-GLE
Rifa Basic Malachite Green
Fast Yellow Y-5686
PARECOXIB SODIUM H
α,ω-dipropionic acid octaethylene glycol
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