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Substance Name: 1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-, hydrochloride, hydrate (2:2:1)
RN: 145759-34-8
InChIKey: WWIGNUZWGZZUKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N5-O-S2.Cl-H.1/2H2-O

Molecular Weight

  • 488.0774
 
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Names and Synonyms

  • 1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 145759-34-8

System Generated Number

  • 0145759348

Molecular Formulas

Molecular Formula

  • C23-H25-N5-O-S2.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C23-H25-N5-O-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H25N5OS2.ClH/c29-23(21-17-7-1-3-9-19(17)30-25-21)24-11-5-6-12-27-13-15-28(16-14-27)22-18-8-2-4-10-20(18)31-26-22;/h1-4,7-10H,5-6,11-16H2,(H,24,29);1H

InChIKey

WWIGNUZWGZZUKS-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(ns2)C(=O)NCCCCN3CCN(CC3)c4c5ccccc5sn4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 2308, 1994.