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Substance Name: 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide
RN: 86346-98-7
InChIKey: RXLKZXSGRUQFTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O3-S.Br-H

Molecular Weight

  • 463.3937
 
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Names and Synonyms

  • 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 86346-98-7

System Generated Number

  • 0086346987

Molecular Formulas

Molecular Formula

  • C21-H22-N2-O3-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C21-H22-N2-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N2O3S.BrH/c24-21(16-8-9-17-18(13-16)26-14-25-17)19(10-7-15-5-2-1-3-6-15)27-20-22-11-4-12-23(20)21;/h1-3,5-6,8-9,13,19,24H,4,7,10-12,14H2;1H

InChIKey

RXLKZXSGRUQFTM-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCC2C(N3CCCN=C3S2)(c4ccc5c(c4)OCO5)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,