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Substance Name: 3-Pyrazolin-5-one, 4-(bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-, hydrochloride
RN: 10070-95-8
InChIKey: GWZOOPXJRCIWQS-UHFFFAOYSA-N

Molecular Formula

  • C16-H21-Cl2-N3-O.Cl-H

Molecular Weight

  • 378.729
 
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Names and Synonyms

Synonyms

  • 4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride
  • 4-(Bis-(2-chloraethyl)aminomethyl)-1-phenyl-2,3-dimethylpyrazolon hydrochlorid
  • 4-(Bis-(2-chloraethyl)aminomethyl)-1-phenyl-2,3-dimethylpyrazolon hydrochlorid [German]

Systematic Name

  • 3-Pyrazolin-5-one, 4-(bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 10070-95-8

System Generated Number

  • 0010070958

Molecular Formulas

Molecular Formula

  • C16-H21-Cl2-N3-O.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

GWZOOPXJRCIWQS-UHFFFAOYSA-N

Smiles

n1(n(c(c(c1C)CN(CCCl)CCCl)=O)C)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intramuscular 30mg/kg (30mg/kg)   Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 84, Pg. 227, 1975.