3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1)
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![3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2517f0bc105149e0b3a9ebaba94a8490.png "3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1)")
3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1)
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CAS No:
58703-79-0
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Formula:
C21H26N2O3.C6H4BrNO2
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Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1)
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Synonyms:
3-Pyridinecarboxylic acid,5-bromo-,compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1);Eburnamenine-14-carboxylic acid,14,15-dihydro-14-hydroxy-,methyl ester,(3α,14β,16α)-,mono(5-bromo-3-pyridinecarboxylate) (salt);3-Pyridinecarboxylic acid,5-bromo-,compd. with (3α,14β,16α)-methyl 14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate (1:1);1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine,eburnamenine-14-carboxylic acid deriv.;Vincamine 5-bromonicotinate
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CAS No:
3-Pyridinecarboxylic acid, 5-bromo-, compd. with (12S,13aS,13bS)-methyl 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (1:1) Basic Attributes
556.4 g/mol
555.13688 g/mol
261-397-6
DTXSID90207405
Computed Properties
Molecular Weight:556.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:555.13688
Monoisotopic Mass:555.13688
Topological Polar Surface Area:105
Heavy Atom Count:36
Complexity:738
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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