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Substance Name: Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-alpha-(3-oxo-1(3H)-isobenzofuranylidene)-
ID: CY15734500
InChIKey: BZRBJXSBNZHDFI-ISLYRVAYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-Cl2-N-O4

Molecular Weight

  • 406.2633
 
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Names and Synonyms

Synonyms

  • 4-(4-Bis-(2-chloroethyl)aminophenyl)phthalidylideneacetic acid
  • 4-(Bis(2-chloroethyl)amino)-alpha-(3-oxo-1(3H)-isobenzofuranylidene)benzeneacetic acid

Systematic Name

  • Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-alpha-(3-oxo-1(3H)-isobenzofuranylidene)-

Registry Numbers

ID Number

  • NIOSH/CY1573450

System Generated Number

  • CY15734500

Structure Descriptors

InChI

1S/C20H17Cl2NO4/c21-9-11-23(12-10-22)14-7-5-13(6-8-14)17(19(24)25)18-15-3-1-2-4-16(15)20(26)27-18/h1-8H,9-12H2,(H,24,25)/b18-17+

InChIKey

BZRBJXSBNZHDFI-ISLYRVAYSA-N

Smiles

OC(=O)\C(=C/1\OC(=O)c2ccccc12)\c3ccc(cc3)N(CCCl)CCCl