ANDROST-5-ENE-3-beta,16-alpha-DIOL

Modify Date: 2025-08-25 13:17:30

ANDROST-5-ENE-3-beta,16-alpha-DIOL structure	Common Name	ANDROST-5-ENE-3-beta,16-alpha-DIOL
	CAS Number	3642-89-5	Molecular Weight	290.44000
	Density	1.12g/cm3	Boiling Point	428.4ºC at 760 mmHg
	Molecular Formula	C₁₉H₃₀O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	194.5ºC

Name	Cetadiol

Density	1.12g/cm3
Boiling Point	428.4ºC at 760 mmHg
Molecular Formula	C₁₉H₃₀O₂
Molecular Weight	290.44000
Flash Point	194.5ºC
Exact Mass	290.22500
PSA	40.46000
LogP	3.67100
Index of Refraction	1.568
InChIKey	CVCDJRPXEWJAAY-UVSUZTNJSA-N
SMILES	CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(O)C2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BV8090000

CHEMICAL NAME :: Androst-5-ene-3-beta,16-alpha-diol

CAS REGISTRY NUMBER :: 3642-89-5

BEILSTEIN REFERENCE NO. :: 3208853

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H30-O2

MOLECULAR WEIGHT :: 290.49

WISWESSER LINE NOTATION :: L E5 B666 KUTJ A E GQ OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 1071 ug/kg

TOXIC EFFECTS :: Behavioral - antipsychotic

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,419,1972

(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-16-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate structure

(3S,8S,9S,10R,1...

CAS#:5040-97-1

~%

Androst-5-ene-3,16-diol,(3b,16b)- (9CI) structure

Androst-5-ene-3...

CAS#:6038-32-0

ANDROST-5-ENE-3-beta,16-alpha-DIOL Structure

ANDROST-5-ENE-3...

CAS#:3642-89-5

Literature: Sorm; Horak Collection of Czechoslovak Chemical Communications, 1956 , vol. 21, p. 926,929

Precursor 1
CAS#:5040-97-1 (3S,8S,9S,10R,1...
DownStream 1
CAS#:1474-62-0 [(3S,8R,9S,10R,...

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