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Substance Name: Butanimidoyl chloride, N-(((diethylamino)carbonyl)oxy)-, compd. with calcium chloride(Ca-Cl2) (1:1)
RN: 171199-16-9
InChIKey: NGIQYFOMUFHFAW-LYMULUNZSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H17-Cl-N2-O2.Ca-Cl2

Molecular Weight

  • 331.6823
 
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Names and Synonyms

Synonym

  • Calcium chloride, compd. with N-(((diethylamino)carbonyl)oxy)butanimidoyl chloride (1:1)

Systematic Name

  • Butanimidoyl chloride, N-(((diethylamino)carbonyl)oxy)-, compd. with calcium chloride(Ca-Cl2) (1:1)

Registry Numbers

CAS Registry Number

  • 171199-16-9

System Generated Number

  • 0171199169

Molecular Formulas

Molecular Formula

  • C9-H17-Cl-N2-O2.Ca-Cl2

Molecular Formula Fragments

  • C9-H17-Cl-N2-O2
  • Ca-Cl2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H17ClN2O2.Ca.2ClH/c1-4-7-8(10)11-14-9(13)12(5-2)6-3;;;/h4-7H2,1-3H3;;2*1H/q;+2;;/p-2/b11-8-;;;

InChIKey

NGIQYFOMUFHFAW-LYMULUNZSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 565mg/kg (565mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 23, 1995.