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Substance Name: Chlorambucil sodium salt
RN: 1030-06-4
InChIKey: MXPCUEIEUDJYAC-UHFFFAOYSA-M

Note

  • A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed)

Molecular Formula

  • C14-H18-Cl2-N-O2.Na

Molecular Weight

  • 326.197
 

Classification Codes

  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Results Name

  • Chlorambucil sodium salt

Synonyms

  • CB 1348 sodium salt
  • Chlorambucil sodium salt
  • p-(Di-2-chloroethylamine)-phenyl butyric acid sodium salt
  • p-N,N-Bis(2-chloroethyl)aminophenylbutyric acid sodium salt
  • Sodium chlorambucil

Systematic Names

  • Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, sodium salt (9CI)
  • Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 1030-06-4

System Generated Number

  • 0001030064

Molecular Formulas

Molecular Formula

  • C14-H18-Cl2-N-O2.Na

Molecular Formula Fragments

  • C14-H18-Cl2-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

InChI=1S/C14H19Cl2NO2.Na/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;/h4-7H,1-3,8-11H2,(H,18,19);/q;+1/p-1

InChIKey

MXPCUEIEUDJYAC-UHFFFAOYSA-M

Smiles

[Na+].[O-]C(=O)CCCc1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 45mg/kg (45mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 11, Pg. 437, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.93 (none)   EXP

Physical property data is provided to ChemIDplus by SRC, Inc.