Pentanedioic acid, 2-oxo-, 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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![Pentanedioic acid, 2-oxo-, 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/20220811/2a72cc27442c4efd8abf1a84fe196d35.png "Pentanedioic acid, 2-oxo-, 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)")
Pentanedioic acid, 2-oxo-, 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:
54341-01-4
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Formula:
C21H26N2O3.C5H6O5
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Chemical Name:
Pentanedioic acid, 2-oxo-, 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:
Pentanedioic acid,2-oxo-,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)-,2-oxopentanedioate (1:1) (salt);Pentanedioic acid,2-oxo-,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 α-ketoglutarate;Oxovinca;EL 485;Vincamine 2-oxoglutarate
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CAS No:
Pentanedioic acid, 2-oxo-, 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
500.5 g/mol
500.21586598 g/mol
259-115-1
EMQ36IS47K
Computed Properties
Molecular Weight:500.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:500.21586598
Monoisotopic Mass:500.21586598
Topological Polar Surface Area:146
Heavy Atom Count:36
Complexity:769
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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