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Substance Name: 1-Piperazinepropanamide, N-(4-(1-methylethylthio)phenyl)-4-(2-pyridinyl)-
RN: 104373-77-5
InChIKey: NLRDBSFWXSZYJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N4-O-S

Molecular Weight

  • 384.5452
 
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Names and Synonyms

Synonyms

  • BRN 5634012
  • N-(4-(1-Methylethylthio)phenyl)-4-(2-pyridinyl)-1-piperazinepropanamide

Systematic Name

  • 1-Piperazinepropanamide, N-(4-(1-methylethylthio)phenyl)-4-(2-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 104373-77-5

System Generated Number

  • 0104373775

Structure Descriptors

InChI

1S/C21H28N4OS/c1-17(2)27-19-8-6-18(7-9-19)23-21(26)10-12-24-13-15-25(16-14-24)20-5-3-4-11-22-20/h3-9,11,17H,10,12-16H2,1-2H3,(H,23,26)

InChIKey

NLRDBSFWXSZYJL-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)c1ccccn1)CCC(=O)Nc1ccc(cc1)SC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 438mg/kg (438mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 838mg/kg (838mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.