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Substance Name: 5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-methyl-2-propyl-, monohydrochloride
RN: 50680-71-2
InChIKey: URKHADQCOZTXBH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N4-O2-S.Cl-H

Molecular Weight

  • 439.0209
 
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Names and Synonyms

Synonym

  • N-Methyl-N-beta-(4'-(o-methoxyphenyl)-1'-piperazinyl)ethyl-2-propylthiazol-5-carboxamide HCl

Systematic Name

  • 5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-methyl-2-propyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 50680-71-2

System Generated Number

  • 0050680712

Molecular Formulas

Molecular Formula

  • C21-H30-N4-O2-S.Cl-H

Molecular Formula Fragments

  • C21-H30-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30N4O2S.ClH/c1-4-7-20-22-16-19(28-20)21(26)23(2)10-11-24-12-14-25(15-13-24)17-8-5-6-9-18(17)27-3;/h5-6,8-9,16H,4,7,10-15H2,1-3H3;1H

InChIKey

URKHADQCOZTXBH-UHFFFAOYSA-N

Smiles

CCCc1ncc(s1)C(=O)N(C)CCN2CCN(CC2)c3ccccc3OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   United States Patent Document. Vol. #3966950,
mouse LD50 intravenous 43mg/kg (43mg/kg)   United States Patent Document. Vol. #3966950,