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Substance Name: Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-3-phenyl-, DL-
RN: 52322-29-9
InChIKey: AMQOVKFPGUGUDM-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-Cl-N3-O4

Molecular Weight

  • 299.7126
 
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Names and Synonyms

Synonyms

  • BRN 5108778
  • DL-Phenylalanine, N-(((2-chloroethyl)nitrosoamino) carbonyl)-
  • DL-Phenylalanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-
  • N-(((2-Chloroethyl)nitrosoamino)carbonyl)-DL-phenylalanine
  • NSC 176960

Systematic Name

  • Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-3-phenyl-, DL-

Registry Numbers

CAS Registry Number

  • 52322-29-9

System Generated Number

  • 0052322299

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)

InChIKey

AMQOVKFPGUGUDM-UHFFFAOYSA-N

Smiles

OC(=O)C(Cc1ccccc1)NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 52150ug/kg (52.15mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,