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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)-, methyl ester, hydrochloride
RN: 70547-18-1
InChIKey: LGKRGLHNWXECFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H24-Cl-N-O2-S.Cl-H

Molecular Weight

  • 498.4715
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 70547-18-1

System Generated Number

  • 0070547181

Molecular Formulas

Molecular Formula

  • C27-H24-Cl-N-O2-S.Cl-H

Molecular Formula Fragments

  • C27-H24-Cl-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H24ClNO2S.ClH/c1-17-25(18-8-4-3-5-9-18)26-23(22-14-20(28)12-13-24(22)32-26)16-29(17)15-19-10-6-7-11-21(19)27(30)31-2;/h3-14,17,25H,15-16H2,1-2H3;1H

InChIKey

LGKRGLHNWXECFS-UHFFFAOYSA-N

Smiles

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

Toxicity

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