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Allopregnanolone

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Allopregnanolone / CAS : 516-54-1

Appearance white powder UN 0.0
HS 0.0 DG Class 0.0
Synonyms Brexanolone; Zulresso; (3α)-Allopregnanolone; 3Alpha,5Alpha-THP; 3Alpha-OH DHP; Pregnan-20-One, 3-Hydroxy-, (3α,5α)-; Allopregnan-3Alpha-Ol-20-One; 3α-Hydroxy-5α-Pregnan-20-One; 3Alpha-Hydroxy-5Alpha-Pregnan-20-One; 3Alpha-Hydroxy-5Alpha-Dihydroprogesterone; (3Alpha,5Alpha)-3-Hydroxypregnan-20-one
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Properties

Summary

Formula
C21H34O2
Molecular Mass
318.49300
Exact Mass
318.25600
PSA
37.30000
Logp
4.59520
IUPAC
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
SMILES
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Nervous System Drugs

Chemical and Physical Properties

Density
1.053g/cm3
Boiling Point
431.2ºC at 760mmHg
Flash Point
183.9ºC
Appearance
white powder

Export information

HS Code
0.0
UN No.
0.0
DG-Class
0.0

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