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Substance Name: 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-butynyl)-, 1,1-dioxide
RN: 135704-99-3
InChIKey: XQWSQXXFMOMDMM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N5-O3-S

Molecular Weight

  • 397.4571
 
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Names and Synonyms

Synonyms

  • 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
  • BRN 4827336

Systematic Name

  • 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-butynyl)-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 135704-99-3

System Generated Number

  • 0135704993

Structure Descriptors

InChI

1S/C19H19N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,10-15H2

InChIKey

XQWSQXXFMOMDMM-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)N(S2(=O)=O)CC#CCN3CCN(CC3)c4ncccn4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 105mg/kg (105mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 193, 1991.