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Substance Name: Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride
RN: 25561-58-4
InChIKey: BUPQBSAGPFCVDN-QMGGKDRNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O-S.Cl-H

Molecular Weight

  • 375.922
 
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Names and Synonyms

Synonyms

  • 2-((4-Methyl-1-piperazinyl)imino)-4'-phenylthioacetophenone hydrochloride
  • 2-((N'-Methyl-N-piperazino)imino)-4'-phenylthioacetophenone hydrochloride

Systematic Name

  • Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride

Registry Numbers

CAS Registry Number

  • 25561-58-4

System Generated Number

  • 0025561584

Molecular Formulas

Molecular Formula

  • C19-H21-N3-O-S.Cl-H

Molecular Formula Fragments

  • C19-H21-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21N3OS.ClH/c1-21-11-13-22(14-12-21)20-15-19(23)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17;/h2-10,15H,11-14H2,1H3;1H/b20-15+;

InChIKey

BUPQBSAGPFCVDN-QMGGKDRNSA-N

Smiles

c1(Sc2ccccc2)ccc(C(\C=N\N2CC[NH+](C)CC2)=O)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 157, 1970.