3alpha-amino-5alpha-pregnan-20-one

Modify Date: 2025-08-25 09:39:38

3alpha-amino-5alpha-pregnan-20-one Structure
3alpha-amino-5alpha-pregnan-20-one structure
Common Name 3alpha-amino-5alpha-pregnan-20-one
CAS Number 474-45-3 Molecular Weight 317.50900
Density 1.014g/cm3 Boiling Point 419.9ºC at 760mmHg
Molecular Formula C21H35NO Melting Point N/A
MSDS N/A Flash Point 207.8ºC

 Names

Name (3α,5α)-3-Aminopregnan-20-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.014g/cm3
Boiling Point 419.9ºC at 760mmHg
Molecular Formula C21H35NO
Molecular Weight 317.50900
Flash Point 207.8ºC
Exact Mass 317.27200
PSA 43.09000
LogP 5.26190
Vapour Pressure 2.93E-07mmHg at 25°C
Index of Refraction 1.516
InChIKey POWBIOMTXFDIOP-SYBPFIFISA-N
SMILES CC(=O)C1CCC2C3CCC4CC(N)CCC4(C)C3CCC12C
Storage condition -20°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4375000
CHEMICAL NAME :
5-alpha-Pregnan-20-one, 3-alpha-amino-
CAS REGISTRY NUMBER :
474-45-3
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H35-N-O
MOLECULAR WEIGHT :
317.57
WISWESSER LINE NOTATION :
L E5 B666TJ A1 E1 FV1 OZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHDDAT Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. (Paris, France) V.262-291, 1966-80. For publisher information, see CRASEV. Volume(issue)/page/year: 274,2830,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
64 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 18,177,1960

 Safety Information

Hazard Codes Xn

 Synonyms

Amafolona [INN-Spanish]
(2beta,3alpha,5alpha)-3-Amino-2-hydroxyandrostan-17-one,hydrochloride
Amafolonum
Amafolona
Amafolone
Amafolonum [INN-Latin]
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