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Substance Name: 17a-Aza-D-homoandrostan-17-one, 3-((3-(3-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-beta,5-alpha)-
RN: 137866-26-3
InChIKey: MJJQETZDTOSLSA-XMILLTGRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H44-Cl2-N2-O3

Molecular Weight

  • 575.6166
 
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Names and Synonyms

Synonyms

  • (3beta,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one
  • 3beta-Hydroxy-13alpha-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam-m-N,N-bis(2-chloroethyl)aminocinnamate
  • BRN 4830097
  • CCRIS 8276

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 137866-26-3

System Generated Number

  • 0137866263

Structure Descriptors

InChI

1S/C32H44Cl2N2O3/c1-31-14-12-25(39-30(38)11-6-22-4-3-5-24(20-22)36(18-16-33)19-17-34)21-23(31)7-8-26-27(31)13-15-32(2)28(26)9-10-29(37)35-32/h3-6,11,20,23,25-28H,7-10,12-19,21H2,1-2H3,(H,35,37)/b11-6+/t23-,25-,26+,27-,28-,31-,32-/m0/s1

InChIKey

MJJQETZDTOSLSA-XMILLTGRSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 659, 1991.