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Substance Name: Acetic acid, chloro-, (3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl ester
RN: 126054-43-1
InChIKey: JOKRPORJXQCDAP-HWYRMRFUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H37-Cl-N2-O2

Molecular Weight

  • 421.0213
 
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Names and Synonyms

Synonyms

  • 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane
  • BRN 4209328

Systematic Name

  • Acetic acid, chloro-, (3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl ester

Registry Numbers

CAS Registry Number

  • 126054-43-1

System Generated Number

  • 0126054431

Structure Descriptors

InChI

1S/C24H37ClN2O2/c1-23-10-8-17(29-22(28)15-25)14-16(23)4-5-18-19-6-7-21(27(3)13-12-26)24(19,2)11-9-20(18)23/h16-21H,4-11,13-15H2,1-3H3/t16-,17-,18?,19?,20?,21-,23-,24-/m0/s1

InChIKey

JOKRPORJXQCDAP-HWYRMRFUSA-N

Smiles

C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)OC(=O)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 950, 1989.