5alpha-Pregnan-3alpha-ol-20-one

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Names

[ CAS No. ]:
516-54-1

[ Name ]:
5alpha-Pregnan-3alpha-ol-20-one

[Synonym ]:
Pregnan-20-one, 3-hydroxy-, (3α,5α)-
pregnanalone
Pregnan-20-one, 3-hydroxy-, (3α)-
PREGNAN-3A-OL-20-ONE
(+)-3α-Hydroxy-5α-pregnan-20-one
(3α)-3-Hydroxypregnan-20-one
Butabindide oxalate
3α,5α-THP
(3α)-Allopregnanolone
5-Pregnan-3-ol-20-one
3alpha-hydroxy-5alpha-pregnan-20-one
MFCD00003677
UNII:S39XZ5QV8Y
Pregnanolone II
3alpha-hydroxy-5beta-pregnan-20-one
ALLOPREGNAN-3ALPHA-OL-20-ONE
Pregnan-20-one,3-hydroxy-, (3a,5b)-
Brexanolone
Allopregnanolone
3α-Hydroxy-5α-pregnan-20-one
3a-Hydroxy-5a-pregnane-20-one
(3α,5α)-3-Hydroxypregnan-20-one
3a-Hydroxy-5a-pregnan-20-one
(+)-3a-Hydroxy-5a-pregnan-20-one
3α,5α-Tetrahydroprogesterone
5α-Pregnan-3α-ol-20-one
5alpha-Pregnan-3alpha-ol-20-one
(3α)-Allopregnanolone
LJPC-0712

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
431.2±18.0 °C at 760 mmHg

[ Melting Point ]:
176-178°

[ Molecular Formula ]:
C₂₁H₃₄O₂

[ Molecular Weight ]:
318.493

[ Flash Point ]:
183.9±13.8 °C

[ Exact Mass ]:
318.255890

[ PSA ]:
37.30000

[ LogP ]:
4.89

[ Appearance of Characters ]:
White solid

[ Vapour Pressure ]:
0.0±2.3 mmHg at 25°C

[ Index of Refraction ]:
1.524

[ Storage condition ]:
Store at RT

[ Water Solubility ]:
chloroform: 20 mg/mL, clear, colorless

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TU4383000

CHEMICAL NAME :: 5-alpha-Pregnan-20-one, 3-alpha-hydroxy-

CAS REGISTRY NUMBER :: 516-54-1

BEILSTEIN REFERENCE NO. :: 3211363

LAST UPDATED :: 199709

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C21-H34-O2

MOLECULAR WEIGHT :: 318.55

WISWESSER LINE NOTATION :: L E5 B666TJ A1 E1 FV1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 7 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
22-24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TU4383000

Precursor & DownStream

Precursor

DownStream

Articles

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The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain canc...

Combined liquid chromatography-tandem mass spectrometry analysis of progesterone metabolites.

PLoS ONE 10(2) , e0117984, (2015)

Progesterone has a number of important functions throughout the human body. While the roles of progesterone are well known, the possible actions and implications of progesterone metabolites in differe...