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Substance Name: Benzoic acid, 4-((3-(1H-imidazol-1-ylacetyl)-2-thiazolidinyl)methoxy)-, hydrochloride, hydrate (1:1:2)
RN: 161364-53-0
InChIKey: CTHCMPLOYKYWIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O4-S.Cl-H.2H2-O

Molecular Weight

  • 383.8542
 
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Names and Synonyms

  • Benzoic acid, 4-((3-(1H-imidazol-1-ylacetyl)-2-thiazolidinyl)methoxy)-, hydrochloride, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 161364-53-0

System Generated Number

  • 0161364530

Molecular Formulas

Molecular Formula

  • C16-H17-N3-O4-S.Cl-H.2H2-O

Molecular Formula Fragments

  • C16-H17-N3-O4-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H17N3O4S.ClH/c20-14(9-18-6-5-17-11-18)19-7-8-24-15(19)10-23-13-3-1-12(2-4-13)16(21)22;/h1-6,11,15H,7-10H2,(H,21,22);1H

InChIKey

CTHCMPLOYKYWIL-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)O)OCC2N(CCS2)C(=O)Cn3ccnc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 38, Pg. 508, 1995.