9-chloro-5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
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9-chloro-5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
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CAS No:
77386-12-0
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Formula:
C19H20ClNO3
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Chemical Name:
9-chloro-5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
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Synonyms:
3-allyl-6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol methanesulfonate;SK and F 85174;SK and F 85174, methanesulfonate salt, (R)-isomer;SK and F 85174, methanesulfonate salt, (S)-isomer;SK and F 85174-J;SK and F-85174-J;SKF 85174;SKF-85174;77386-12-0;CHEMBL130795;SK&F 85174;Skf 85174;SK&F 85174-J;1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-3-(2-propenyl)-;CHEMBL368456;SCHEMBL11273914;DTXSID50998600;BDBM50019389;SKF-85174;3-Allyl-6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol methanesulfonate;3-Allyl-6-chloro-1-(4-hydroxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol;3-allyl-6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1h-3-benzazepine-7,8-diol;6-Chloro-1-(4-hydroxyphenyl)-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
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CAS No:
9-chloro-5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Basic Attributes
345.8 g/mol
345.1131712 g/mol
Drug Information
3-allyl-6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol methanesulfonate
Computed Properties
Molecular Weight:345.8
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:345.1131712
Monoisotopic Mass:345.1131712
Topological Polar Surface Area:63.9
Heavy Atom Count:24
Complexity:427
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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