Basic information
- CAS
7125-67-9- Standard SMILES
Cc1cc(C)n(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)n1- InChIKey
WGPJQOGQDROQGQ-YVWKXTFCSA-N- Molecular formula
- C22H27N5O
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.2215605
Names & identifiers
- Preferred name
- Metoquizine
- IUPAC
- N-[(6aR,9R,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-3,5-dimethylpyrazole-1-carboxamide
- English name
- Metoquizine
- Molecular formula
- C22H27N5O
- Molecular weight
- 377.48
Names & synonyms
METOQUIZINE7125-67-9Metoquizina2DW6SEL94LN-[(6aR,9R,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-3,5-dimethylpyrazole-1-carboxamideMetoquizinum1H-Pyrazole-1-carboxamide, 3,5-dimethyl-N-(4,6,6a,7,8,9,10,10a-octahydro-4,7-dimethylindolo(4,3-fg)quinolin-9-yl)Ly 42406Lilly 42406Metoquizine [USAN:INN]UNII-2DW6SEL94L3,5-Dimethyl-N-(4,6,6a,7,8,9,10,10a-octahydro-4,7-dimethylindolo(4,3-fg)quinolin-9-yl)pyrazole-1-carboxamide
Show more names
42406Ly42406Ly-424063,5-dimethyl-pyrazole-1-carboxylic acid 1,6-dimethyl-ergolin-8-ylamide1H-Pyrazole-1-carboxamide, N-[(8β)-1,6-dimethylergolin-8-yl]-3,5-dimethyl-3,5-Dimethyl-N-(4,6,6a,7,8,9,10,10a-octahydro-4,7-dimethylindolo[4,3-fg]quinolin-9-yl)-1H-pyrazole-1-carboxamide
3,5-Dimethyl-N-(4,6,6a,7,8,9,10,10a-octahydro-4,7-dimethylindolo[4,3-fg]quinolin-9-yl)pyrazole-1-carboxamideMETOQUIZINE [INN]Metoquizine (USAN/INN)METOQUIZINE [USAN]SCHEMBL667598orb1701929CHEMBL3989641DTXSID90221424
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
Physicochemical properties
- Melting point
- 195 · 195-205 °C (decomp)
- Density
- 1.35 · 1.350±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.309 · 12.309±0.20(predicted)
- FDA UNII
- 2 DW6SEL94L · 2DW6SEL94L
Chemistry & industry
Applications
UsesAnticholinergic.
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…