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Substance Name: 7-(3-(3-Hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid
RN: 124924-85-2
InChIKey: UYFMSCHBODMWON-GEUMQUDLSA-N

Note

  • Thromboxane A2/prostaglandin H2 receptor agonist.

Molecular Formula

  • C23-H29-I-O5

Molecular Weight

  • 510.477
 
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Names and Synonyms

Name of Substance

  • 7-(3-(3-Hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid

Synonym

  • I-BOP

Systematic Name

  • 5-Heptenoic acid, 7-(3-(3-hydroxy-4-(4-(iodo-125I)phenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha,2alpha(Z),3beta(1E,3S*),4alpha))-

Registry Numbers

CAS Registry Number

  • 124924-85-2

System Generated Number

  • 0124924852

Structure Descriptors

InChI

1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1/i24-2

InChIKey

UYFMSCHBODMWON-GEUMQUDLSA-N

Smiles

O1[C@H]2[C@H](\C=C\[C@H](COc3ccc([125I])cc3)O)[C@H]([C@@H]1CC2)C\C=C/CCCC(=O)O