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Substance Name: Benzo(b)thiophene-3-acetic acid, 5-bromo-
RN: 17266-45-4
InChIKey: ZCOAKUJOOQOKHY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-Br-O2-S

Molecular Weight

  • 271.133
 
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Names and Synonyms

Synonyms

  • 5-18-06-00449 (Beilstein Handbook Reference)
  • 5-Bromobenzo(b)thiophene-3-acetic acid
  • BRN 1244996

Systematic Name

  • Benzo(b)thiophene-3-acetic acid, 5-bromo-

Registry Numbers

CAS Registry Number

  • 17266-45-4

System Generated Number

  • 0017266454

Structure Descriptors

InChI

1S/C10H7BrO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)

InChIKey

ZCOAKUJOOQOKHY-UHFFFAOYSA-N

Smiles

c12c(c(cs1)CC(=O)O)cc(cc2)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1612, 1969.