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Substance Name: Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)-
RN: 115041-57-1
InChIKey: YOXCOYGIFVYJDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3-O2-S

Molecular Weight

  • 373.5183
 
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Names and Synonyms

Synonyms

  • 4-((3-(4-(Phenylmethyl)-1-piperazinyl)propyl)sulfonyl)benzenamine
  • BRN 5127984

Systematic Name

  • Benzenamine, 4-((3-(4-(phenylmethyl)-1-piperazinyl)propyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 115041-57-1

System Generated Number

  • 0115041571

Structure Descriptors

InChI

1S/C20H27N3O2S/c21-19-7-9-20(10-8-19)26(24,25)16-4-11-22-12-14-23(15-13-22)17-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17,21H2

InChIKey

YOXCOYGIFVYJDF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCN(CC2)CCCS(=O)(=O)c3ccc(cc3)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 761, 1987.