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Substance Name: Propanimidoyl chloride, N-(((methylamino)carbonyl)oxy)-, compd. with calcium chloride (1:1)
RN: 171199-23-8
InChIKey: SMPPVRXVVUKLDJ-HANRVJEYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H9-Cl-N2-O2.Ca-Cl2

Molecular Weight

  • 275.5751
 
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Names and Synonyms

Synonym

  • N-(((Methylamino)carbonyl)oxy)propanimidoyl chloride compd. with calcium chloride (1:1)

Systematic Name

  • Propanimidoyl chloride, N-(((methylamino)carbonyl)oxy)-, compd. with calcium chloride (1:1)

Registry Numbers

CAS Registry Number

  • 171199-23-8

System Generated Number

  • 0171199238

Molecular Formulas

Molecular Formula

  • C5-H9-Cl-N2-O2.Ca-Cl2

Molecular Formula Fragments

  • C5-H9-Cl-N2-O2
  • Ca-Cl2
  • COMPONENT

Structure Descriptors

InChI

1S/C5H9ClN2O2.Ca.2ClH/c1-3-4(6)8-10-5(9)7-2;;;/h3H2,1-2H3,(H,7,9);;2*1H/q;+2;;/p-2/b8-4-;;;

InChIKey

SMPPVRXVVUKLDJ-HANRVJEYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 81mg/kg (81mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 23, 1995.