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Substance Name: Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-
RN: 73680-54-3
InChIKey: NAGXSOYAKRVKRE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-Cl2-N4-O2

Molecular Weight

  • 345.2282
 
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Names and Synonyms

Synonyms

  • 2-(5-(Bis-(2-chloroethyl)amino)-2-benzimidazolyl)alanine
  • beta-(5-(6)-Bis-(beta'-chloroaethyl)-aminobenzimidazolyl-(2))-DL-alanin
  • beta-(5-(6)-Bis-(beta'-chloroaethyl)-aminobenzimidazolyl-(2))-DL-alanin [German]

Systematic Name

  • Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-

Registry Numbers

CAS Registry Number

  • 73680-54-3

System Generated Number

  • 0073680543

Structure Descriptors

InChI

1S/C14H18Cl2N4O2/c1-14(17,13(21)22)12-18-10-3-2-9(8-11(10)19-12)20(6-4-15)7-5-16/h2-3,8H,4-7,17H2,1H3,(H,18,19)(H,21,22)

InChIKey

NAGXSOYAKRVKRE-UHFFFAOYSA-N

Smiles

CC(c1[nH]c2ccc(cc2n1)N(CCCl)CCCl)(C(=O)O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 634, 1966.