Cetadiol

CAS 3642-89-5 MFCD00468026

化学结构图

3642-89-5
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2

化学属性

Mol. FormulaC19H30O2
Mol. Weight290.49

别名和识别编码

Chemical NameAndrost-5-ene-3-beta,16-alpha-diol
InChIKeyCVCDJRPXEWJAAY-UVSUZTNJSA-N
Wiswesser Line NotationL E5 B666 KUTJ A E GQ OQ
Synonym Cetadiol delta(sup 5)-Androstene-3-beta,16-alpha-diol 5-Androstene-3-beta,16-alpha-diol 3-beta,16-alpha-Dihydroxy-5-androstene
CAS Number3642-89-5
Beilstein Registry Number3208853
PubChem Substance ID19274
InChIInChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1
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安全信息

RTECSBV8090000
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

系列性分类


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