Basic information
- CAS
70704-03-9- Standard SMILES
CCN1CCc2c3n(c4ccccc24)C(C(=O)OC)=CCC31- InChIKey
JWOSSISWAJNJIA-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Overview
synthetic hexa-hydrocanthane alkaloid; RN given refers to (+ -)-isomer; RN for cpd without isomeric designation not avai lable 8/89
Names & identifiers
- Preferred name
- Vinconate
- IUPAC
- methyl 6-ethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaene-2-carboxylate
- English name
- vinconate
- Molecular formula
- C18H20N2O2
- Molecular weight
- 296.368
Names & synonyms
Vinconate70704-03-9VinconatochanodesethylapovincamineVinconatum807MP0MJ61DTXSID40867937methyl 3-ethyl-2,3,3a,4-tetrahydro-1H-indolo(3,2,1-de)(1,5)naphthyridine-6-carboxylateMethyl 3-ethyl-2,3,3a,4-tetrahydro-1H-indolo[3,2,1-de][1,5]naphthyridine-6-carboxylateRefChem:934038DTXCID80816085274-789-7
Show more names
VincoteVintenateChanodesethylapovinc?amine1H-Indolo[3,2,1-de][1,5]naphthyridine-6-carboxylic acid, 3-ethyl-2,3,3a,4-tetrahydro-, methyl ester
Vinconate [INN]Vinconate, (-)-Vinconate, (+)-889S74L2KZUSR9X88XYUUNII-889S74L2KZOC-340OM-853
Database identifiers
- CAS
70704-03-9、753420-20-1、767257-65-8、79087-56-2- PubChem CID
- 68896
- DTXSID
DTXSID40867937
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Melting point
- 120 · 120-121°
- Boiling point
- 363.6 · 363.6±42.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 8 · 8.00±0.40(Predicted)
- FDA UNII
- 807 MP0MJ61 · 807MP0MJ61
Chemistry & industry
Applications
UsesVinconate is an indolonaphthyridine derivative and can stimulate the muscariic acetylcholine receptor.
Suppliers9 total
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…