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Substance Name: Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-
RN: 85386-69-2
InChIKey: WXINCTZWMSULLM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-F-N-O2-S

Molecular Weight

  • 261.2752
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85386-69-2

System Generated Number

  • 0085386692

Structure Descriptors

InChI

1S/C13H8FNO2S/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

WXINCTZWMSULLM-UHFFFAOYSA-N

Smiles

c1cc2c(ccc3c2c(c1)C(=S)N3CC(=O)O)F

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.