16,(5-BETA)-PREGNEN-3-BETA-OL-20-ONE

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Names

[ CAS No. ]:
566-60-9

[ Name ]:
16,(5-BETA)-PREGNEN-3-BETA-OL-20-ONE

[Synonym ]:
16-Pregnenolone
16-Dehydropregnanolone

Chemical & Physical Properties

[ Density]:
1.077g/cm3

[ Boiling Point ]:
443.7ºC at 760 mmHg

[ Molecular Formula ]:
C21H32O2

[ Molecular Weight ]:
316.47800

[ Flash Point ]:
189.1ºC

[ Exact Mass ]:
316.24000

[ PSA ]:
37.30000

[ LogP ]:
4.51530

[ Index of Refraction ]:
1.54

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU5562000
CHEMICAL NAME :
5-beta-Pregn-16-en-20-one, 3-alpha-hydroxy-
CAS REGISTRY NUMBER :
566-60-9
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H32-O2
MOLECULAR WEIGHT :
316.53
WISWESSER LINE NOTATION :
L E5 B666 FUTJ A1 E1 FV1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
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

Precursor & DownStream

Precursor

DownStream

  • Pregnane-3,20-diol, (3α,5β,20S)
  • Pregnanolone

Related Compounds

  • 16-DEHYDROPREGNENOLONE ACETATE OXIME
  • 16,17-Epoxy-16-methyl pregn-9(11)-en-3-ol-20-one
  • Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-16-methyl-, 17-acetate, (16b,17b)- (9CI)
  • 21-bromo-3β,17α-dihydroxy-5-pregnen-20-one
  • 16alpha-methylpregnenolone acetate
  • 21-hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one
  • 2-tert-butyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (3R)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-benzyl-1H-indole-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-{[benzyl(methyl)amino]methyl}benzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-benzyl-5-ethyl-1H-pyrazole-4-carboxylate
  • 5-(butane-1-sulfonyl)-1-cyclopentyl-1H-pyrazole-4-carbaldehyde
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-benzyl-5-propyl-1H-pyrazole-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-[benzyl(methyl)carbamoyl]piperidine-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-(benzyloxy)pyridine-2-carboxylate
  • 1-tert-butyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 2,3-dihydro-1H-indole-1,5-dicarboxylate
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