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Substance Name: 3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(4-pyridinylmethyl)-, hydrochloride, hydrate (1:1:1)
RN: 161364-77-8
InChIKey: PQPMFHMNCUFVJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N3-O4-S.Cl-H.H2-O

Molecular Weight

  • 437.9456
 
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Names and Synonyms

  • 3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(4-pyridinylmethyl)-, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 161364-77-8

System Generated Number

  • 0161364778

Molecular Formulas

Molecular Formula

  • C20-H23-N3-O4-S.Cl-H.H2-O

Molecular Formula Fragments

  • C20-H23-N3-O4-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H23N3O4S.ClH/c1-26-16-4-2-3-5-17(16)27-14-20-23(10-11-28-20)19(25)12-18(24)22-13-15-6-8-21-9-7-15;/h2-9,20H,10-14H2,1H3,(H,22,24);1H

InChIKey

PQPMFHMNCUFVJV-UHFFFAOYSA-N

Smiles

COc1ccccc1OCC2N(CCS2)C(=O)CC(=O)NCc3ccncc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 707mg/kg (707mg/kg)   Journal of Medicinal Chemistry. Vol. 38, Pg. 508, 1995.