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Substance Name: Zimet 86-76
RN: 72437-91-3
InChIKey: SBKDMSMCCHEKFB-UHFFFAOYSA-N

Molecular Formula

  • C21-H24-Cl2-N4-O2

Molecular Weight

  • 435.353
 
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Names and Synonyms

Name of Substance

  • Zimet 86-76

Synonym

  • beta-(1-(p-Tolyl)-5-bis(beta-chloroethyl)aminobenzimidazolyl-(2))-DL-alanine

Systematic Name

  • 1H-Benzimidazole-2-propanoic acid, alpha-amino-5-(bis(2-chloroethyl)amino)-1-(4-methylphenyl)-, (+-)-

Registry Numbers

CAS Registry Number

  • 72437-91-3

System Generated Number

  • 0072437913

Structure Descriptors

InChI

1S/C21H24Cl2N4O2/c1-14-2-4-15(5-3-14)27-19-7-6-16(26(10-8-22)11-9-23)12-18(19)25-20(27)13-17(24)21(28)29/h2-7,12,17H,8-11,13,24H2,1H3,(H,28,29)

InChIKey

SBKDMSMCCHEKFB-UHFFFAOYSA-N

Smiles

c1(nc2c(n1c1ccc(cc1)C)ccc(c2)N(CCCl)CCCl)C[C@@H](C(=O)O)N