Vinpocetine
PubChem CID: 443955
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| Compound Synonyms | vinpocetine, 42971-09-5, Cavinton, Ceractin, Bravinton, Apovincaminic acid ethyl ester, Ethyl apovincamin-22-oate, Vinporal, Ultra-Vinca, TCV-3B, Vinpocetinum, Ethyl (+)-apovincaminate, RGH 4405, cis-Apovincaminic acid ethyl ester, Ethyl (+)-cis-apovincaminate, Vinpocetinum [INN-Latin], TCV 3B, Apovincaminate d'ethyle, (+)-Apovincaminic acid ethyl ester, Apovincaminate d'ethyle [French], (+)-cis-Apovincaminic acid ethyl ester, Ethyl apovincaminate, Vinpocetina, 3-alpha,16-alpha-Apovincaminic acid ethyl ester, AY 27,255, EINECS 256-028-0, Eburnamenine-14-carboxylic acid, ethyl ester, (3a,16a)-, NSC-760093, BRN 0900803, DTXSID5023740, AY-27,255, Eburnamenine-14-carboxylic acid ethyl ester, 543512OBTC, Vinpocetine [USAN:INN:BAN:JAN], VINPOCETINE [MI], MFCD00211233, VINPOCETINE [DSC], VINPOCETINE [INN], VINPOCETINE [JAN], VINPOCETINE [USAN], VINPOCETINE [VANDF], VINPOCETINE [MART.], AY-27255, VINPOCETINE [USP-RS], VINPOCETINE [WHO-DD], CHEMBL71752, MLS000069635, DTXCID903740, Eburnamenine-14-carboxylic acid, ethyl ester, (3alpha,16alpha)-, VINPOCETINE [EP MONOGRAPH], NSC 760093, (41S,13aS)-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-carboxylate, NCGC00018204-09, SMR000058241, Eburnamenine-14-carboxylic acid, ethyl ester, (3-alpha,16-alpha)-, Vinpocetinum (INN-Latin), VINPOCETINE (MART.), VINPOCETINE (USP-RS), ethyl (41S,13aS)-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, RGH-4405, VINPOCETINE (EP MONOGRAPH), EBURNAMENINE 14-CARBOXYLIC ACID ETHYL ESTER (3.ALPHA.,16.ALPHA.), ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate, ethyl (15S,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, SR-01000075633, Vinpocetin, UNII-543512OBTC, Vinpocetine (JAN/USAN/INN), Vinpocetine-ethyl apovincaminate, Ethyl apovincamin, 3A,16A-Apovincaminic acid ethyl ester, NCGC00016854-03, ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo(9.6.2.0^(2,7).0^(8,18).0^(15,19))nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate, ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo(9.6.2.02,?.0?,1?.01?,1?)nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate, ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,?.0?,1?.01?,1?]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate, Prestwick_963, CAS-42971-09-5, Spectrum_001400, Vinpocetine (Cavinton), Vinpocetine (Standard), AY 27255, SpecPlus_000327, Opera_ID_1325, Prestwick0_000268, Prestwick1_000268, Prestwick2_000268, Prestwick3_000268, Spectrum2_001529, Spectrum3_000961, Spectrum4_001075, Spectrum5_000966, V 6383, Lopac0_001257, SCHEMBL50081, BSPBio_000116, BSPBio_002561, KBioGR_001430, KBioSS_001880, MLS001076294, DivK1c_006423, SPECTRUM1503115, Vinpocetine, >=98%, solid, ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate, SPBio_001318, SPBio_002335, BPBio1_000128, cid_443955, GTPL5285, Vinpocetin - Bio-X trade mark, Vinpocetine, analytical standard, REGID_for_CID_443955, CHEBI:32297, KBio1_001367, KBio2_001880, KBio2_004448, KBio2_007016, KBio3_001781, N06BX18, HMS1568F18, HMS1922G05, HMS2090J22, HMS2092L06, HMS2095F18, HMS3263L16, HMS3402D12, HMS3411H11, HMS3675H11, HMS3712F18, HMS3887E17, Pharmakon1600-01503115, (3alpha, 16alpha)-Eburnamenine-14-carboxylic acid ethyl ester, BCP04123, Tox21_110648, Tox21_110839, Tox21_501257, BDBM50059033, CCG-39307, eburnamenine-14-carboxylic acid, ethyl ester, (3 alpha,16 alpha)-, HY-13295R, NSC760093, PD-185, s2110, AKOS015896480, Tox21_110648_1, CS-0545, DB12131, FV11741, LP01257, SDCCGSBI-0051224.P003, Vinpocetine 1.0 mg/ml in Acetonitrile, (3S,16S)-apovincaminic acid ethylester, NCGC00018204-05, NCGC00018204-06, NCGC00018204-07, NCGC00018204-08, NCGC00018204-10, NCGC00018204-11, NCGC00018204-13, NCGC00021727-04, NCGC00021727-05, NCGC00021727-06, NCGC00021727-07, NCGC00168782-01, NCGC00261942-01, NCGC00263865-01, NCGC00263865-04, AC-22612, AS-13868, BV164528, HY-13295, Eburnamenine-14-carboxylic acid ethyl ester, , EU-0101257, NS00006850, V0115, A12521, D01371, AB00052317_02, AO-645/21219012, Q420288, SR-01000000118, SR-01000000118-3, SR-01000075633-1, SR-01000075633-3, SR-01000075633-4, BRD-K53318339-001-05-8, BRD-K53318339-001-23-1, BRD-K53318339-001-24-9, Vinpocetine, European Pharmacopoeia (EP) Reference Standard, (3alpha,16alpha)-Eburnamenine-14-carboxylic acid ethyl ester, Vinpocetine, United States Pharmacopeia (USP) Reference Standard, EBURNAMENINE 14-CARBOXYLIC ACID ETHYL ESTER (3ALPHA,16ALPHA), (11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid ethyl ester, (3aS,11bS)-3a-ethyl-1,2,3,3a,10,11b-hexahydro-11H-5a,11a-diaza-benzo[cd]fluoranthene-5-carboxylic acid ethyl ester, (41S,13aS)-Ethyl 13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-ij]pyrido[3,2,1-de][1,5]naphthyridine-12-carboxylate, (41S,13aS)-ethyl13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate, 115986-87-3, 11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid 2-nitrooxy-ethyl ester(Vinpocetine), 256-028-0, 68780-77-8, ethyl (15s,19s)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2(7),3,5,8(18),16-pentaene-17-carboxylate, ethyl(15S,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 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3C4CCCCC4C4CCC(C1)C2C34 |
| Np Classifier Class | Aspidosperma type |
| Deep Smiles | CCOC=O)C=C[C@]CC))CCCN[C@@H]6cn%10cccccc6c9CC%13 |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Eburnan-type alkaloids |
| Scaffold Graph Node Level | C1CCC2C(C1)C1CCN3CCCC4CCN2C1C43 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 617.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | ethyl (15S,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 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H26N2O2 |
| Scaffold Graph Node Bond Level | C1=Cn2c3c(c4ccccc42)CCN2CCCC1C32 |
| Inchi Key | DDNCQMVWWZOMLN-IRLDBZIGSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | vinpocetine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cn(c)C(=CC)C(=O)OC |
| Compound Name | Vinpocetine |
| Exact Mass | 350.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 350.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 |
| Smiles | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075