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Substance Name: Imidazole-4-carboxylic acid, 5-(2-chloroacetamido)-, ethyl ester, monohydrochloride
RN: 21190-08-9
InChIKey: QKTKXMQXAYTCSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-Cl-N3-O3.Cl-H

Molecular Weight

  • 268.099
 
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Names and Synonyms

Synonyms

  • 5-(2-Chloroacetylamido)imidazole-4-carboxylic acid ethyl ester monohydrochloride
  • Ethyl 5-(2-chloroacetamido)imidazole-4-carboxylate monohydrochloride

Systematic Name

  • Imidazole-4-carboxylic acid, 5-(2-chloroacetamido)-, ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 21190-08-9

System Generated Number

  • 0021190089

Molecular Formulas

Molecular Formula

  • C8-H10-Cl-N3-O3.Cl-H

Molecular Formula Fragments

  • C8-H10-Cl-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C8H10ClN3O3.ClH/c1-2-15-8(14)6-7(11-4-10-6)12-5(13)3-9;/h4H,2-3H2,1H3,(H,10,11)(H,12,13);1H

InChIKey

QKTKXMQXAYTCSM-UHFFFAOYSA-N

Smiles

c1nc(c([nH]1)NC(CCl)=O)C(=O)OCC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 2, Pg. 510, 1968.