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Substance Name: 17a-Aza-D-homoandrostan-17-one, 3-((3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-beta,5-alpha)-
RN: 137866-27-4
InChIKey: ISFVVUJZGURXEK-GCYLSWOGSA-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-(4-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one
  • BRN 4829672

Systematic Name

  • 17a-Aza-D-homoandrostan-17-one, 3-((3-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-beta,5-alpha)-

Registry Numbers

CAS Registry Number

  • 137866-27-4

System Generated Number

  • 0137866274

Structure Descriptors

InChI

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

InChIKey

ISFVVUJZGURXEK-GCYLSWOGSA-N

Smiles

c1(ccc(cc1)\C=C\C(O[C@H]1CC[C@@]2(C)[C@H](C1)CC[C@@H]1[C@@H]2CC[C@@]2([C@H]1CCC(N2)=O)C)=O)N(CCCl)CCCl

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.