I-Pta-OH

(E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Also Known As: I-Pta-OH|[125I]PTA-OH|PDSP1_000457|PDSP2_000455|J3.052.676G|(E)-7-[3-[[2-Hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid|9,11-Dimethylmethano-11,12-methano 16-(3-iodo-4-hydroxyphenyl)-13,14-dihydro-13-aza-15-tetranorthromboxane A2|(E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid|5-Heptenoic acid, 7-(3-((2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-|7-(3-{[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino}-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)hept-5-enoic acid|7-[3-[[2-Hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethylbicyclo[3.1.1]hepta-2-yl]-5-heptenoic acid|9,11-Dimethylmethano-11,12-methano-16-(3-iodo-4-hydroxyphenyl)-13, 14-dihydro-13-aza-15 alpha beta-omega-tetranor-TXA2

Molecular Formula	C25H36INO4
Molecular Weight	541.1689 g/mol
LogP	4.7418
Topological Polar Surface Area	89.79 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	541.1689
Monoisotopic Mass	541.1689
Heavy Atoms	31
Complexity	793.7267

Chemical Identifiers

CAS Number	97228-80-3
SMILES	CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)C/C=C/CCCC(=O)O)C