N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide
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![N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0d0d13b9b321475caf1ad9508a6142fd.png "N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide")
N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide
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CAS No:
95386-99-5
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Formula:
C29H29N3O4S
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Chemical Name:
N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide
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Synonyms:
6,14-endoetheno-7alpha-(p-isothiocyanatophenylacetylamino)tetrahydrooripavine;NIH 10358;NIH-10358;95386-99-5;Nih 10358;Nih-10358;DTXSID70915016;6,14-Endoetheno-7alpha-(p-isothiocyanatophenylacetylamino)tetrahydrooripavine;Benzeneacetamide, N-((5alpha,7alpha)-4,5-eoxy-3-hydroxy-6-methoxy-17-methyl-6,14-ethenomorphinan-7-yl)-4-isothiocyanato-;N-(3-Hydroxy-6-methoxy-17-methyl-5-oxo-6,14-ethenomorphinan-7-yl)-2-(4-isothiocyanatophenyl)ethanimidic acid
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CAS No:
N-(4-hydroxy-13-methoxy-17-methyl-14-oxo-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5,18-tetraen-12-yl)-2-(4-isothiocyanatophenyl)acetamide Basic Attributes
515.6 g/mol
515.18787759 g/mol
Computed Properties
Molecular Weight:515.6
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:515.18787759
Monoisotopic Mass:515.18787759
Topological Polar Surface Area:123
Heavy Atom Count:37
Complexity:1040
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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