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Substance Name: 17a-Aza-D-homoandrostan-17-one, 3-((3-(2-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-beta,5-alpha)-
RN: 137866-25-2
InChIKey: XZWKOCGAAATECU-BMMFLIOGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H44-Cl2-N2-O3

Molecular Weight

  • 575.617
 
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Names and Synonyms

Synonyms

  • (3beta,5alpha)-3-((3-(2-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one
  • 3-beta-Hydroxy-17a-aza-D-homo-5-alpha-androstan-17-one O-(bis(2-chloroethyl)amino)cinnamate
  • BRN 4830753

Systematic Name

  • 17a-Aza-D-homoandrostan-17-one, 3-((3-(2-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-beta,5-alpha)-

Registry Numbers

CAS Registry Number

  • 137866-25-2

System Generated Number

  • 0137866252

Structure Descriptors

InChI

1S/C32H44Cl2N2O3/c1-31-15-13-24(39-30(38)12-7-22-5-3-4-6-28(22)36(19-17-33)20-18-34)21-23(31)8-9-25-26(31)14-16-32(2)27(25)10-11-29(37)35-32/h3-7,12,23-27H,8-11,13-21H2,1-2H3,(H,35,37)/b12-7+/t23-,24-,25+,26-,27-,31-,32-/m0/s1

InChIKey

XZWKOCGAAATECU-BMMFLIOGSA-N

Smiles

c1(c(cccc1)N(CCCl)CCCl)\C=C\C(O[C@H]1CC[C@@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@@]2(NC(CC[C@@H]12)=O)C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 659, 1991.