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Substance Name: Benz(cd)indole-1(2H)-acetic acid, 6,8-dibromo-2-thioxo-
RN: 85386-71-6
InChIKey: PEOPZKSDJQEJHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H7-Br2-N-O2-S

Molecular Weight

  • 401.0773
 
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Names and Synonyms

Synonym

  • 6,8-Dibromo-2-thioxobenz(cd)indole-1(2H)-acetic acid

Systematic Name

  • Benz(cd)indole-1(2H)-acetic acid, 6,8-dibromo-2-thioxo-

Registry Numbers

CAS Registry Number

  • 85386-71-6

System Generated Number

  • 0085386716

Structure Descriptors

InChI

1S/C13H7Br2NO2S/c14-8-4-9(15)12-11-6(8)2-1-3-7(11)13(19)16(12)5-10(17)18/h1-4H,5H2,(H,17,18)

InChIKey

PEOPZKSDJQEJHB-UHFFFAOYSA-N

Smiles

c1cc2c(cc(c3c2c(c1)C(=S)N3CC(=O)O)Br)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported > 1200mg/kg (1200mg/kg)   Medicinal Chemistry Research. Vol. 1, Pg. 59, 1991.