7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate
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7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate
structure -
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CAS No:
85411-35-4
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Formula:
C31H34N4O10
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Chemical Name:
7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate
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Synonyms:
saframycin R;Saframycin R;106209-14-7;DTXSID10909959;85411-35-4;7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate;Acetic acid, hydroxy-, 7-cyano-9-(((1,2-dioxopropyl)amino)methyl)-1,5,6,7,9,14,14a,15-octahydro-10-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4-dioxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-13-yl ester, (6S-(6-alpha,7-alpha,9-beta,14a-alpha,15-alpha))-
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CAS No:
7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate Basic Attributes
622.6 g/mol
622.22749329 g/mol
Computed Properties
Molecular Weight:622.6
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:622.22749329
Monoisotopic Mass:622.22749329
Topological Polar Surface Area:196
Heavy Atom Count:45
Complexity:1430
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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