Name | (3alpha,5alpha)-3-hydroxypregnan-20-one |
Synonyms | 3α-OH-DHP LJPC-0712 Brexanolone Anlotinib Dihydrochloride 3-alpha,5-alpha-pregnanolone Allopregnanolone(Brexanolone) 3-A-5-A-TETRAHYDROPROGESTERONE (3alpha,5alpha)-3-hydroxypregnan-20-one 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
CAS | 516-54-1 |
InChI | InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 |
InChIKey | AURFZBICLPNKBZ-SYBPFIFISA-N |
Molecular Formula | C21H34O2 |
Molar Mass | 318.49 |
Density | 1.053±0.06 g/cm3(Predicted) |
Melting Point | 176-178° |
Boling Point | 431.2±18.0 °C(Predicted) |
Specific Rotation(α) | D +87.7° (abs alc) |
Flash Point | 183.9°C |
Solubility | chloroform: 20mg/mL, clear, colorless |
Vapor Presure | 3.05E-09mmHg at 25°C |
Appearance | White solid |
Color | white |
Merck | 13,272 |
BRN | 3211363 |
pKa | 15.12±0.70(Predicted) |
Storage Condition | Store at RT |
Stability | Stable for 2 years as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month. |
Refractive Index | 1.524 |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
RTECS | TU4383000 |
FLUKA BRAND F CODES | 10 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 3.14 ml | 15.699 ml | 31.398 ml |
5 mM | 0.628 ml | 3.14 ml | 6.28 ml |
10 mM | 0.314 ml | 1.57 ml | 3.14 ml |
5 mM | 0.063 ml | 0.314 ml | 0.628 ml |