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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-, dihydrochloride
RN: 59902-02-2
InChIKey: IXUKFCZJOMRONB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-Cl2-N3-O.2Cl-H

Molecular Weight

  • 415.1897
 
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Names and Synonyms

Synonyms

  • 1,2-Dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 2HCl
  • 1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochlorid
  • 1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochlorid [German]
  • Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride

Systematic Name

  • 3H-Pyrazol-3-one, 1,2-dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 59902-02-2

System Generated Number

  • 0059902022

Molecular Formulas

Molecular Formula

  • C16-H21-Cl2-N3-O.2Cl-H

Molecular Formula Fragments

  • C16-H21-Cl2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21Cl2N3O.2ClH/c1-13-15(12-20(10-8-17)11-9-18)16(22)21(19(13)2)14-6-4-3-5-7-14;;/h3-7H,8-12H2,1-2H3;2*1H

InChIKey

IXUKFCZJOMRONB-UHFFFAOYSA-N

Smiles

Cc1c(c(=O)n(n1C)c2ccccc2)CN(CCCl)CCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 29mg/kg (29mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 634, 1966.