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Substance Name: Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-
RN: 74729-50-3
InChIKey: AMQOVKFPGUGUDM-JTQLQIEISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-Cl-N3-O4

Molecular Weight

  • 299.7126
 
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Names and Synonyms

Synonyms

  • BRN 5108778
  • N-(3-(2-Chloroethyl)-3-nitrosoureido)-3-phenylalanine

Systematic Name

  • Alanine, N-(3-(2-chloroethyl)-3-nitrosoureido)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 74729-50-3

System Generated Number

  • 0074729503

Structure Descriptors

InChI

1S/C12H14ClN3O4/c13-6-7-16(15-20)12(19)14-10(11(17)18)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,17,18)/t10-/m0/s1

InChIKey

AMQOVKFPGUGUDM-JTQLQIEISA-N

Smiles

OC(=O)[C@H](Cc1ccccc1)NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 82mg/kg (82mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 1095, 1980.