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Substance Name: Benzamide, 3-nitro-N-(((2-(1-(phenylmethyl)-4-piperidinyl)ethyl)amino)thioxomethyl)-, monohydrochloride
RN: 145232-63-9
InChIKey: FBCYVDBGUZGQSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N4-O3-S.Cl-H

Molecular Weight

  • 462.9993
 
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Names and Synonyms

Synonym

  • 1-(3-Nitrobenzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea hydrochloride

Systematic Name

  • Benzamide, 3-nitro-N-(((2-(1-(phenylmethyl)-4-piperidinyl)ethyl)amino)thioxomethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 145232-63-9

System Generated Number

  • 0145232639

Molecular Formulas

Molecular Formula

  • C22-H26-N4-O3-S.Cl-H

Molecular Formula Fragments

  • C22-H26-N4-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N4O3S.ClH/c27-21(19-7-4-8-20(15-19)26(28)29)24-22(30)23-12-9-17-10-13-25(14-11-17)16-18-5-2-1-3-6-18;/h1-8,15,17H,9-14,16H2,(H2,23,24,27,30);1H

InChIKey

FBCYVDBGUZGQSZ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCC(CC2)CCNC(=S)NC(=O)c3cccc(c3)[N+](=O)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18mg/kg (18mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 689, 1994.