Pregnane-3,20-diol, (3α,5β,20S)

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Names

[ CAS No. ]:
80-92-2

[ Name ]:
Pregnane-3,20-diol, (3α,5β,20S)

[Synonym ]:
MFCD00064141
Pregnane-3,20-diol, (3α,5β,20S)
EINECS 201-313-7

Chemical & Physical Properties

[ Density]:
1.053g/cm3

[ Boiling Point ]:
435.9ºC at 760 mmHg

[ Melting Point ]:
240-242ºC

[ Molecular Formula ]:
C₂₁H₃₆O₂

[ Molecular Weight ]:
320.50900

[ Flash Point ]:
191ºC

[ Exact Mass ]:
320.27200

[ PSA ]:
40.46000

[ LogP ]:
4.38700

[ Index of Refraction ]:
1.531

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TU4157113

CHEMICAL NAME :: 5-beta-Pregnane-3-alpha, 20-alpha-diol

CAS REGISTRY NUMBER :: 80-92-2

BEILSTEIN REFERENCE NO. :: 3083715

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C21-H36-O2

MOLECULAR WEIGHT :: 320.57

WISWESSER LINE NOTATION :: L E5 B666TJ A1 E1 FYQ1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >40 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - other changes

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 :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,709,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,709,1982

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - other changes

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

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(20S)-5β-pregnanetriol-(3β.16β.20)
5B-PREGNAN-20A-OL-3-ONE
Pregnanolone
Dihydrosarsasapogenin
Etiocholanolone
(Z)-5β-pregn-17(20)-en-3α-ol
(20S)-5-beta-pregnane-3alpha,20-diol diacetate
Pregnane-3,20-dione, (5b)-

DownStream

Pregnane-3,20-dione, (5b)-
Pregnanolone

Customs

[ HS Code ]: 2942000000

Related Compounds

(20S)-5β-Pregnane-3α,20-diol bis(heptafluorobutyrate)
pregnane-3,20-diol 3,20-disulfate
pregnane-3,17,20-triol-3-glucuronide
pregnane-3,20-diol 3-sulfate
5-beta-pregnane-3-alpha,20-beta-diol
11-keto-pregnanediol
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2-Bromo-5-methoxyphenyl)methyl]cyclopropan-1-ol
2-(4-{[(4-ethoxyphenyl)methyl]amino}-1H-pyrazol-1-yl)ethan-1-ol
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
2-[4-(Difluoromethoxy)phenyl]propan-2-ol
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde