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Substance Name: Benz(cd)indole-1(2H)-acetic acid, 6-bromo-2-thioxo-
ID: DE31290800
InChIKey: PUKPMMFUXAYXCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-Br-N-O2-S

Molecular Weight

  • 322.1812
 
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Names and Synonyms

Synonym

  • 6-Bromo-2-thioxobenz(cd)indole-1(2H)-acetic acid

Systematic Name

  • Benz(cd)indole-1(2H)-acetic acid, 6-bromo-2-thioxo-

Registry Numbers

ID Number

  • NIOSH/DE3129080

System Generated Number

  • DE31290800

Structure Descriptors

InChI

1S/C13H8BrNO2S/c14-9-4-5-10-12-7(9)2-1-3-8(12)13(18)15(10)6-11(16)17/h1-5H,6H2,(H,16,17)

InChIKey

PUKPMMFUXAYXCI-UHFFFAOYSA-N

Smiles

OC(=O)CN1C(=S)c2cccc3c(Br)ccc1c23