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Substance Name: Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate
RN: 64047-52-5
InChIKey: RRGCKMHKMCUKAH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-Cl2-N2-O.H2-O

Molecular Weight

  • 319.23
 
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Names and Synonyms

Synonym

  • Aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl ketone hydrate

Systematic Name

  • Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate

Registry Numbers

CAS Registry Number

  • 64047-52-5

System Generated Number

  • 0064047525

Molecular Formulas

Molecular Formula

  • C14-H18-Cl2-N2-O.H2-O

Molecular Formula Fragments

  • C14-H18-Cl2-N2-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H18Cl2N2O.H2O/c1-11-2-3-12(14(19)18-8-9-18)10-13(11)17(6-4-15)7-5-16;/h2-3,10H,4-9H2,1H3;1H2

InChIKey

RRGCKMHKMCUKAH-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)cc(C(N2CC2)=O)ccc1C.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 17mg/kg (17mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 161, 1969.