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Substance Name: SQ 29,535
RN: 104162-13-2
InChIKey: ZKHRYLFRJMMUEU-KNKJJNPESA-N

Note

  • A potent, time-dependent inhibitor of the cyclooxygenase activity of prostaglandin endoperoxide synthase.

Molecular Formula

  • C22-H38-O4

Molecular Weight

  • 366.538
 
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Names and Synonyms

Results Name

  • SQ 29,535

Name of Substance

  • 1-(2,2-Dimethylhept-5-eno-7-yl)-2-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)heptane

Synonyms

  • (1R-(1alpha,2alpha(Z),3alpha,4alpha))-7-(3-((Hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-2,2-dimethyl-5-heptenoic acid
  • 7-((Hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl-2,2-dimethyl-5-heptenoic acid
  • 7-Obhp
  • SQ 29,535

Systematic Name

  • 5-Heptenoic acid, 7-(3-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-2,2-dimethyl-, (1R-(1alpha,2alpha(Z),3alpha,4alpha))-

Registry Numbers

CAS Registry Number

  • 104162-13-2

System Generated Number

  • 0104162132

Structure Descriptors

InChI

1S/C22H38O4/c1-4-5-6-10-15-25-16-18-17(19-12-13-20(18)26-19)11-8-7-9-14-22(2,3)21(23)24/h7-8,17-20H,4-6,9-16H2,1-3H3,(H,23,24)/b8-7-/t17-,18+,19+,20-/m0/s1

InChIKey

ZKHRYLFRJMMUEU-KNKJJNPESA-N

Smiles

C(C(CC\C=C/C[C@@H]1[C@H]2CC[C@@H]([C@@H]1COCCCCCC)O2)(C)C)(=O)O