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 information
- CAS
54341-01-4- Standard SMILES
CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32.O=C(O)CCC(=O)C(=O)O- InChIKey
ZZIDXUJHLCRNJB-YAFGAGFVSA-N- Molecular formula
- C26H32N2O8
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.21586598
Names & identifiers
- Preferred 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)
- IUPAC
- methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;2-oxopentanedioic acid
Names & synonyms
54341-01-4RefChem:1094505Pentanedioic 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)OxovincaVincamine 2-oxoglutaratevincamine oxoglurateEMQ36IS47KVincamine alpha-ketoglutarateEINECS 259-115-1EL 485UNII-EMQ36IS47KSCHEMBL11844327
Show more names
DTXSID10969437EL-485VINCAMINE OXOGLURATE [WHO-DD]VINCAMINE .ALPHA.-KETOGLUTARATEEburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3-alpha,14-beta,16-alpha)-, 2-oxopentanedioate (1:1) (salt)methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;2-oxopentanedioic acidMethyl (3alpha,14beta,16alpha)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate, 2-oxoglutarate (1:1)Q27277243
Database identifiers
- CAS
54341-01-4- PubChem CID
- 124168
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 769
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