Ethyl (41S,13AR)-13A-ethyl-2,3,41,5,6,13A-hexahydro-1H-indolo[3,2,1-DE]pyrido[3,2,1-IJ][1,5]naphthyridine-12-carboxylate

HCID 657229

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Basic information

CAS: 74924-34-8
Standard SMILES: CCOC(=O)C1=C[C@@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
InChIKey: DDNCQMVWWZOMLN-IFMALSPDSA-N
Molecular formula: C22H26N2O2
Average molar mass: 350.5 g/mol
Monoisotopic mass: 350.19942808

Names & identifiers

Preferred name: Ethyl (41S,13AR)-13A-ethyl-2,3,41,5,6,13A-hexahydro-1H-indolo[3,2,1-DE]pyrido[3,2,1-IJ][1,5]naphthyridine-12-carboxylate
IUPAC: ethyl (15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

Names & synonyms

85647-43-4Vinpocetine Impurity E(3S,16R)-VinpocetineETHYL (41S,13AR)-13A-ETHYL-2,3,41,5,6,13A-HEXAHYDRO-1H-INDOLO[3,2,1-DE]PYRIDO[3,2,1-IJ][1,5]NAPHTHYRIDINE-12-CARBOXYLATEEthyl apovincaminate(41S,13aR)-ethyl 13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylateEthyl (15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylateCHEMBL254015SCHEMBL21370424DTXSID401205926Ethyl 3alpha-eburnamenine-14-carboxylate74924-34-8

Show more names

PD061939F19247BRD-K25429851-001-01-5Eburnamenine-14-carboxylic acid, ethyl ester, (3I+/-)-(A+/-)-ETHYL(41S,13AR)-13A-ETHYL-2,3,41,5,6,13A-HEXAHYDRO-1H-INDOLO[3,2,1-DE]PYRIDO[3,2,1-IJ][1,5]NAPHTHYRIDINE-12-CARBOXYLATE

Database identifiers

CAS: 74924-34-8
PubChem CID: 657229
DTXSID: DTXSID401205926
ChEMBL: CHEMBL254015

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 617

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