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Substance Name: Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-
RN: 70547-19-2
InChIKey: VMANOZSMKHGZHW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H22-Cl-N-O2-S

Molecular Weight

  • 447.9838
 
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Names and Synonyms

Synonym

  • 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine

Systematic Name

  • Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-

Registry Numbers

CAS Registry Number

  • 70547-19-2

System Generated Number

  • 0070547192

Structure Descriptors

InChI

1S/C26H22ClNO2S/c1-16-24(17-7-3-2-4-8-17)25-22(21-13-19(27)11-12-23(21)31-25)15-28(16)14-18-9-5-6-10-20(18)26(29)30/h2-13,16,24H,14-15H2,1H3,(H,29,30)

InChIKey

VMANOZSMKHGZHW-UHFFFAOYSA-N

Smiles

CC1C(c2c(c3cc(ccc3s2)Cl)CN1Cc4ccccc4C(=O)O)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4172134,