Alloepipregnanolone

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Names

[ CAS No. ]:
516-55-2

[ Name ]:
Alloepipregnanolone

[Synonym ]:
ALLOPREGNAN-3B-OL-20-ONE
3beta-hydroxy-5alpha-pregnan-20-one
3-Hydroxypregnan-20-one
Alloepipregnanolone
5A-PREGNAN-3B-OL-20-ONE
Tetrahydroprogesterone
ALLOPREGNANOLONE
ISOPREGNANOLONE
EINECS 208-224-2
MFCD00064935
Pregnan-20-one,3-hydroxy-, (3b,5a)-
epi-allopregnanolone

Chemical & Physical Properties

[ Density]:
1.053g/cm3

[ Boiling Point ]:
431.2ºC at 760mmHg

[ Melting Point ]:
200℃

[ Molecular Formula ]:
C21H34O2

[ Molecular Weight ]:
318.49300

[ Flash Point ]:
183.9ºC

[ Exact Mass ]:
318.25600

[ PSA ]:
37.30000

[ LogP ]:
4.59520

[ Index of Refraction ]:
1.524

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4383200
CHEMICAL NAME :
5-alpha-Pregnan-20-one, 3-beta-hydroxy-
CAS REGISTRY NUMBER :
516-55-2
LAST UPDATED :
199709
DATA ITEMS CITED :
1
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 - mouse
DOSE/DURATION :
40 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

[ RTECS ]:
TU4383200

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pregnenolone
  • 16-Dehydropregnenolone
  • Allopregnanolone acetate
  • 1-((3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-((tetrahydrofuran-2-yl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
  • 16-Dehydropregenolone Acetate
  • 3β-acetoxy-pregn-5-en-20-one
  • 5α-Dihydroprogesterone
  • Progesterone
  • 3β-acetyloxy-20(R)-hydroxy-5αH-pregnane
  • (-)-3β-Hydroxy-17-methoxy-D-homo-18-nor-5α-androsta-13,15,17-triene

DownStream

  • THDOC
  • Epiandrosterone
  • 5α-Dihydroprogesterone
  • 20-oxo-2,3-seco-5α-pregnanedioic acid-(2,3)
  • Epiandrosterone acetate
  • 3-bromo-4-methoxy-N-naphthalen-2-ylbenzenesulfonamide

Related Compounds

  • Alloepipregnanolone
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-{[(tert-butoxy)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 3-cyclopropyl-6-{[1-(1H-imidazole-4-sulfonyl)pyrrolidin-3-yl]methoxy}pyridazine
  • 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
  • 2-{4-[(2-Fluorophenyl)methyl]piperazin-1-yl}-4-methyl-6-(pyrrolidin-1-yl)pyrimidine
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde