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Substance Name: Butanimidoyl chloride, 2-N-((((3-methylphenyl)amino)carbonyl)oxy)-, compd. with calcium chloride (1:1)
RN: 171199-25-0
InChIKey: VQINFFPPQFEVID-SPHAOUDHSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-Cl-N2-O2.Ca-Cl2

Molecular Weight

  • 365.6995
 
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Names and Synonyms

Synonym

  • Calcium chloride, compd. with N-((((3-methylphenyl)amino)carbonyl)oxy)butanimidoyl chloride

Systematic Name

  • Butanimidoyl chloride, 2-N-((((3-methylphenyl)amino)carbonyl)oxy)-, compd. with calcium chloride (1:1)

Registry Numbers

CAS Registry Number

  • 171199-25-0

System Generated Number

  • 0171199250

Molecular Formulas

Molecular Formula

  • C12-H15-Cl-N2-O2.Ca-Cl2

Molecular Formula Fragments

  • C12-H15-Cl-N2-O2
  • Ca-Cl2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15ClN2O2.Ca.2ClH/c1-3-5-11(13)15-17-12(16)14-10-7-4-6-9(2)8-10;;;/h4,6-8H,3,5H2,1-2H3,(H,14,16);;2*1H/q;+2;;/p-2/b15-11-;;;

InChIKey

VQINFFPPQFEVID-SPHAOUDHSA-L

Smiles

CCC/C(=N/OC(=O)Nc1cccc(c1)C)/Cl.[Cl-].[Cl-].[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 510mg/kg (510mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 23, 1995.