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Substance Name: Androst-5-ene-3-beta,16-alpha-diol
RN: 3642-89-5
InChIKey: CVCDJRPXEWJAAY-UVSUZTNJSA-N

Classification Code

  • Human Data

Molecular Formula

  • C19-H30-O2

Molecular Weight

  • 290.444
 
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Names and Synonyms

Synonyms

  • 3-beta,16-alpha-Dihydroxy-5-androstene
  • 4-06-00-06394 (Beilstein Handbook Reference)
  • 5-Androstene-3-beta,16-alpha-diol
  • BRN 3208853
  • Cetadiol
  • delta(sup 5)-Androstene-3-beta,16-alpha-diol
  • NSC 49622

Systematic Names

  • Androst-5-ene-3,16-diol, (3beta,16alpha)- (9CI)
  • Androst-5-ene-3-beta,16-alpha-diol
  • Androst-5-ene-3beta,16alpha-diol (8CI)

Registry Numbers

CAS Registry Number

  • 3642-89-5

System Generated Number

  • 0003642895

Structure Descriptors

InChI

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

InChIKey

CVCDJRPXEWJAAY-UVSUZTNJSA-N

Smiles

C1[C@@H]2[C@@H]([C@@]3(C(C[C@@H](O)CC3)=C1)C)CC[C@@]1([C@H]2C[C@H](O)C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 1071ug/kg (1.071mg/kg) BEHAVIORAL: ANTIPSYCHOTIC "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 419, 1972.