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Substance Name: 1,3-Benzodioxole-5-carboxamide, N-(((2-(1-(phenylmethyl)-4-piperidinyl)ethyl)amino)thioxomethyl)-, monohydrochloride
RN: 145232-73-1
InChIKey: DFOVTEUJLNQNJN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N3-O3-S.Cl-H

Molecular Weight

  • 462.0112
 
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Names and Synonyms

Synonym

  • 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride

Systematic Name

  • 1,3-Benzodioxole-5-carboxamide, N-(((2-(1-(phenylmethyl)-4-piperidinyl)ethyl)amino)thioxomethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 145232-73-1

System Generated Number

  • 0145232731

Molecular Formulas

Molecular Formula

  • C23-H27-N3-O3-S.Cl-H

Molecular Formula Fragments

  • C23-H27-N3-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27N3O3S.ClH/c27-22(19-6-7-20-21(14-19)29-16-28-20)25-23(30)24-11-8-17-9-12-26(13-10-17)15-18-4-2-1-3-5-18;/h1-7,14,17H,8-13,15-16H2,(H2,24,25,27,30);1H

InChIKey

DFOVTEUJLNQNJN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCC(CC2)CCNC(=S)NC(=O)c3ccc4c(c3)OCO4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 689, 1994.