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Substance Name: 5-Hexenoic acid, 6-(3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, monosodium salt, hydrate, (1R-(1-alpha,2-alpha(Z),3-beta,4-alpha))-
RN: 134522-34-2
InChIKey: GWIYTXATRHZSFJ-NEBRCWANSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O4-S.Na.H2-O

Molecular Weight

  • 385.4576
 
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Names and Synonyms

Synonym

  • Sodium (1R,2R,3S,4S)-6-(3-phenylsulfonylaminobicyclo(2.2.1)hept-2-yl)-5(Z)-hexenoate hydrate

Systematic Name

  • 5-Hexenoic acid, 6-(3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, monosodium salt, hydrate, (1R-(1-alpha,2-alpha(Z),3-beta,4-alpha))-

Registry Numbers

CAS Registry Number

  • 134522-34-2

System Generated Number

  • 0134522342

Molecular Formulas

Molecular Formula

  • C19-H23-N-O4-S.Na.H2-O

Molecular Formula Fragments

  • C19-H23-N-O4-S
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C19H25NO4S.Na/c21-18(22)10-6-2-5-9-17-14-11-12-15(13-14)19(17)20-25(23,24)16-7-3-1-4-8-16;/h1,3-5,7-9,14-15,17,19-20H,2,6,10-13H2,(H,21,22);/q;+1/p-1/b9-5-;/t14-,15-,17+,19+;/m1./s1

InChIKey

GWIYTXATRHZSFJ-NEBRCWANSA-M

Smiles

c1ccc(cc1)S(=O)(=O)N[C@H]2[C@@H]3CC[C@H](C3)[C@@H]2/C=C\CCCC(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 237mg/kg (237mg/kg)   European Patent Application. Vol. #384747,