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Substance Name: Imitrodast [INN]
RN: 114686-12-3
UNII: JCQ5G1KFHN
InChIKey: KRBSZXUPPSXPAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N2-O2-S

Molecular Weight

  • 260.3158
 
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Names and Synonyms

Name of Substance

  • Imitrodast [INN]

Synonyms

  • 2-(1H-Imidazol-1-ylmethyl)-4,5-dihydrobenzo(b)thiophene-6-carboxylic acid
  • 4,5-Dihydro-2-(imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid
  • Imitrodast
  • UNII-JCQ5G1KFHN

Systematic Names

  • 4,5-Dihydro-2-(imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid
  • Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-

Registry Numbers

CAS Registry Number

  • 114686-12-3

FDA UNII

  • JCQ5G1KFHN

System Generated Number

  • 0114686123

Structure Descriptors

InChI

1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)

InChIKey

KRBSZXUPPSXPAN-UHFFFAOYSA-N

Smiles

c1cn(cn1)Cc2cc3c(s2)C=C(CC3)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2760mg/kg (2760mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #94-192090,
rat LD50 oral 1880mg/kg (1880mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #94-192090,