7-[3-[[3-(4-ethylphenyl)sulfanyl-2-hydroxypropyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
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7-[3-[[3-(4-ethylphenyl)sulfanyl-2-hydroxypropyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
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CAS No:
82402-81-1
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Formula:
C27H41NO3S
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Chemical Name:
7-[3-[[3-(4-ethylphenyl)sulfanyl-2-hydroxypropyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
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Synonyms:
9,11-dimethylmethano-11,12-methano--16-(4-ethylphenylthio)-13,14-dihydro-13-aza-15-tetranorthromboxane A2;ONO 11105;ONO-11105;82402-81-1;Ono 11105;Ono-11105;DTXSID301002664;9,11-Dimethylmethano-11,12-methano-16-(4-ethylphenylthio)-13,14-dihydro-13-aza-15-tetranorthromboxane A2;5-Heptenoic acid, 7-(3-((3-((4-ethylphenyl)thio)-2-hydroxypropyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-;7-[3-({3-[(4-Ethylphenyl)sulfanyl]-2-hydroxypropyl}amino)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
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CAS No:
7-[3-[[3-(4-ethylphenyl)sulfanyl-2-hydroxypropyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid Basic Attributes
459.7 g/mol
459.28071534 g/mol
Drug Information
9,11-dimethylmethano-11,12-methano--16-(4-ethylphenylthio)-13,14-dihydro-13-aza-15-tetranorthromboxane A2
Computed Properties
Molecular Weight:459.7
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:459.28071534
Monoisotopic Mass:459.28071534
Topological Polar Surface Area:94.9
Heavy Atom Count:32
Complexity:614
Undefined Atom Stereocenter Count:5
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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