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Substance Name: Chlorambucil half mustard
RN: 116505-53-4
UNII: 4Y8DQR959R
InChIKey: JKJKVYIHGWHFSO-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-Cl-N-O2

Molecular Weight

  • 241.716
 
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Names and Synonyms

Name of Substance

  • Chlorambucil half mustard

Synonyms

  • 4-((2-Chloroethyl)amino)benzenebutanoic acid
  • CCRIS 1318
  • Chlorambucil half mustard
  • UNII-4Y8DQR959R

Systematic Names

  • Benzenebutanoic acid, 4-((2-chloroethyl)amino)-
  • Chlorambucil half-mustard

Registry Numbers

CAS Registry Number

  • 116505-53-4

FDA UNII

  • 4Y8DQR959R

System Generated Number

  • 0116505534

Structure Descriptors

InChI

1S/C12H16ClNO2/c13-8-9-14-11-6-4-10(5-7-11)2-1-3-12(15)16/h4-7,14H,1-3,8-9H2,(H,15,16)

InChIKey

JKJKVYIHGWHFSO-UHFFFAOYSA-N

Smiles

c1cc(ccc1NCCCl)CCCC(=O)O