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Substance Name: 2-(4-(4-(3-(1,2-Benzisothiazolyl))-1-piperazinyl)butyl)-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone
RN: 155289-55-7
InChIKey: BBONTYVGVUFBBF-RBUKOAKNSA-N

Molecular Formula

  • C23-H31-N5-O-S

Molecular Weight

  • 425.5979
 
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Names and Synonyms

Name of Substance

  • 2-(4-(4-(3-(1,2-Benzisothiazolyl))-1-piperazinyl)butyl)-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone

Synonyms

  • 2-(4-(4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)butyl)-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone trans-(+-)-
  • BPBHP

Systematic Name

  • 1(2H)-Phthalazinone, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-4a,5,6,7,8,8a-hexahydro-, trans-(+-)-

Registry Numbers

CAS Registry Number

  • 155289-55-7

System Generated Number

  • 0155289557

Structure Descriptors

InChI

1S/C23H31N5OS/c29-23-19-8-2-1-7-18(19)17-24-28(23)12-6-5-11-26-13-15-27(16-14-26)22-20-9-3-4-10-21(20)30-25-22/h3-4,9-10,17-19H,1-2,5-8,11-16H2/t18-,19+/m0/s1

InChIKey

BBONTYVGVUFBBF-RBUKOAKNSA-N

Smiles

c1ccc2c(c1)c(ns2)N3CCN(CC3)CCCCN4C(=O)[C@@H]5CCCC[C@H]5C=N4