(E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
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![(E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d58bb70b56e74fb78e26d6bfd6fb0a81.png "(E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid")
(E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
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CAS No:
85798-84-1
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Formula:
C25H37NO3
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Chemical Name:
(E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
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Synonyms:
9,11-Dimethylmethano-11,12-methano-16-phenyl-13,14-dihydro-13-aza-15-tetranorthromboxane A2; 5-Heptenoic acid,7-(3-((2-hydroxy-3-phenylpropyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl);
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CAS No:
(E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid Basic Attributes
399.56600
399.27734404
Drug Information
9,11-dimethylmethano-11,12-methano-16-phenyl-13,14-dihydro-13-aza-15-tetranorthromboxane A2
Computed Properties
Molecular Weight:399.6
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:399.27734404
Monoisotopic Mass:399.27734404
Topological Polar Surface Area:69.6
Heavy Atom Count:29
Complexity:552
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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