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Substance Name: Benzeneacetonitrile, alpha-(3-((2-(3,4-dichlorophenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+-)-, monosulfamate
RN: 112704-11-7
InChIKey: JKBPIEFDTNVSAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-Cl2-N2-O2.H3-N-O3-S

Molecular Weight

  • 560.5395
 
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Names and Synonyms

Synonym

  • D792 amidosulfonate

Systematic Name

  • Benzeneacetonitrile, alpha-(3-((2-(3,4-dichlorophenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+-)-, monosulfamate

Registry Numbers

CAS Registry Number

  • 112704-11-7

System Generated Number

  • 0112704117

Molecular Formulas

Molecular Formula

  • C25-H32-Cl2-N2-O2.H3-N-O3-S

Molecular Formula Fragments

  • C25-H32-Cl2-N2-O2
  • COMPONENT
  • H3-N-O3-S

Structure Descriptors

InChI

1S/C25H32Cl2N2O2.H3NO3S/c1-18(2)25(17-28,20-8-10-23(30-4)24(16-20)31-5)12-6-13-29(3)14-11-19-7-9-21(26)22(27)15-19;1-5(2,3)4/h7-10,15-16,18H,6,11-14H2,1-5H3;(H3,1,2,3,4)

InChIKey

JKBPIEFDTNVSAF-UHFFFAOYSA-N

Smiles

CC(C)C(CCCN(C)CCc1ccc(c(c1)Cl)Cl)(C#N)c2ccc(c(c2)OC)OC.NS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1mg/kg (1mg/kg)   Cancer Research. Vol. 49, Pg. 4791, 1989.
mouse LD50 oral 282mg/kg (282mg/kg)   Cancer Research. Vol. 49, Pg. 4791, 1989.