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Substance Name: Propanimidoyl chloride, 2-methyl-N-(((phenylamino)carbonyl)oxy)-, compd. with calciumchloride, (CaCl2) (1:1)
RN: 171199-27-2
InChIKey: AKDMGINEQRXNQD-POPHLXOKSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-Cl-N2-O2.Ca-Cl2

Molecular Weight

  • 351.6727
 
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Names and Synonyms

Synonym

  • Calcium chloride, compd. with 2-methyl-N-(((phenylamino)carbonyl)oxy)propanimidoyl chloride

Systematic Name

  • Propanimidoyl chloride, 2-methyl-N-(((phenylamino)carbonyl)oxy)-, compd. with calciumchloride, (CaCl2) (1:1)

Registry Numbers

CAS Registry Number

  • 171199-27-2

System Generated Number

  • 0171199272

Molecular Formulas

Molecular Formula

  • C11-H13-Cl-N2-O2.Ca-Cl2

Molecular Formula Fragments

  • C11-H13-Cl-N2-O2
  • Ca-Cl2
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13ClN2O2.Ca.2ClH/c1-8(2)10(12)14-16-11(15)13-9-6-4-3-5-7-9;;;/h3-8H,1-2H3,(H,13,15);;2*1H/q;+2;;/p-2/b14-10-;;;

InChIKey

AKDMGINEQRXNQD-POPHLXOKSA-L

Smiles

CC(C)/C(=N/OC(=O)Nc1ccccc1)/Cl.[Cl-].[Cl-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 250mg/kg (250mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 23, 1995.