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Substance Name: Alanine, 2-(5-(bis(2-chloroethyl)amino)-1-phenyl-2-benzimidazolyl)-
RN: 73712-01-3
InChIKey: FACRTCMVSZCHCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl2-N4-O2

Molecular Weight

  • 421.326
 
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Names and Synonyms

Synonyms

  • 2-(5-(Bis-(2-chloroethyl)amino)-1-phenyl-2-benzimidazolyl)alanine
  • beta-(1-Phenyl-5-bis(beta'-chloraethyl)-amino-benzimidazolyl-(2))-DL-alanin
  • beta-(1-Phenyl-5-bis(beta'-chloraethyl)-amino-benzimidazolyl-(2))-DL-alanin [German]

Systematic Name

  • Alanine, 2-(5-(bis(2-chloroethyl)amino)-1-phenyl-2-benzimidazolyl)-

Registry Numbers

CAS Registry Number

  • 73712-01-3

System Generated Number

  • 0073712013

Structure Descriptors

InChI

1S/C20H22Cl2N4O2/c1-20(23,19(27)28)18-24-16-13-15(25(11-9-21)12-10-22)7-8-17(16)26(18)14-5-3-2-4-6-14/h2-8,13H,9-12,23H2,1H3,(H,27,28)

InChIKey

FACRTCMVSZCHCJ-UHFFFAOYSA-N

Smiles

n1(c([C@@](C(O)=O)(C)N)nc2c1ccc(c2)N(CCCl)CCCl)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 634, 1966.