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Substance Name: 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(3-chlorophenyl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide
RN: 86346-77-2
InChIKey: VODJBWKSGYZDCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-Cl-N2-O-S.Br-H

Molecular Weight

  • 453.8298
 
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Names and Synonyms

Synonym

  • 2-Phenethyl-3-(3-chlorophenyl)-2,3,6,7-tetrahydro-5H-thiazolo(3,2-a)pyrimidin-3-ol HCl

Systematic Name

  • 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(3-chlorophenyl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 86346-77-2

System Generated Number

  • 0086346772

Molecular Formulas

Molecular Formula

  • C20-H21-Cl-N2-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H21-Cl-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21ClN2OS.BrH/c21-17-9-4-8-16(14-17)20(24)18(11-10-15-6-2-1-3-7-15)25-19-22-12-5-13-23(19)20;/h1-4,6-9,14,18,24H,5,10-13H2;1H

InChIKey

VODJBWKSGYZDCC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCC2C(N3CCCN=C3S2)(c4cccc(c4)Cl)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4431648,