(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
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![(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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/35504241db804951a5851d6123bed1e4.png "(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")
(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
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CAS No:
97228-80-3
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Formula:
C25H36INO4
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Chemical Name:
(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
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Synonyms:
5-Heptenoic acid,7-(3-((2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl); 9,11-Dimethylmethano-11,12-methano 16-(3-iodo-4-hydroxyphenyl)-13,14-dihydro-13-aza-15-tetranorthromboxane A2; I-Pta-OH;
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CAS No:
(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 Basic Attributes
541.46200
541.16891
Drug Information
9,11-dimethylmethano-11,12-methano 16-(3-iodo-4-hydroxyphenyl)-13,14-dihydro-13-aza-15-tetranorthromboxane A2
Computed Properties
Molecular Weight:541.5
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:541.16891
Monoisotopic Mass:541.16891
Topological Polar Surface Area:89.8
Heavy Atom Count:31
Complexity:625
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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