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Substance Name: IMET 3146
RN: 32021-40-2
InChIKey: NMSSNIMMZNQSNV-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

Name of Substance

  • IMET 3146

Synonyms

  • (+-)-alpha-Amino-5-(bis(2-chloroethyl)amino)-1-phenyl-1H-benzimidazole-2-propanoic acid
  • (+-)-alpha-Amino-5-(bis(2-chloroethyl)amino)-1-phenyl-2-benzimidazolepropionic acid
  • 5-25-17-00018 (Beilstein Handbook Reference)
  • beta-(1-Phenyl-5-bis-(beta-chloroethyl)amino-2-benzimidazolyl)-DL-alanine
  • BRN 4019059
  • IMET 3164
  • ZIMET 31/64
  • Zimet-3164

Systematic Name

  • 2-Benzimidazolepropionic acid, alpha-amino-5-(bis(2-chloroethyl)amino)-1-phenyl-, (+-)-

Registry Numbers

CAS Registry Number

  • 32021-40-2

Other Registry Number

  • 31539-54-5

System Generated Number

  • 0032021402

Structure Descriptors

InChI

1S/C20H22Cl2N4O2/c21-8-10-25(11-9-22)15-6-7-18-17(12-15)24-19(13-16(23)20(27)28)26(18)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13,23H2,(H,27,28)

InChIKey

NMSSNIMMZNQSNV-UHFFFAOYSA-N

Smiles

c1(nc2c(n1c1ccccc1)ccc(c2)N(CCCl)CCCl)C[C@@H](C(=O)O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 282mg/kg (282mg/kg) BLOOD: CHANGES IN SPLEEN Agents and Actions, A Swiss Journal of Pharmacology. Vol. 9, Pg. 521, 1979.