Basic information
- CAS
89613-77-4- Standard SMILES
CNc1cc(OC)c(C(=O)NC2CN3CCC2CC3)cc1Cl- InChIKey
DYMNHNMNXIHEHH-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3O2
- Average molar mass
- 323.82 g/mol
- Monoisotopic mass
- 323.14005462
Names & identifiers
- Preferred name
- Mezacopride
- IUPAC
- N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
- English name
- Mezacopride
- Molecular formula
- C16H22ClN3O2
- Molecular weight
- 323.822
Names & synonyms
MezacoprideMezacopride [INN]89613-77-4mezacopridaUNII-FIR46JMQ5YFIR46JMQ5Y(+-)-5-Chloro-4-(methylamino)-N-3-quinuclidinyl-o-anisamidemezacopridumRefChem:158444N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamideSCHEMBL678003SCHEMBL1802144
Show more names
CHEMBL2106741DTXSID30869026DYMNHNMNXIHEHH-UHFFFAOYSA-NNS00121203Q27278005(- )-5-Chloro-4-(methylamino)-N-3-quinuclidinyl-o-anisamide(+/-)-5-CHLORO-4-(METHYLAMINO)-N-3-QUINUCLIDINYL-O-ANISAMIDEN-(1-Azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-4-methylaminobenzamide
Database identifiers
- CAS
89613-77-4- PubChem CID
- 3047745
- DTXSID
DTXSID30869026- ChEMBL
CHEMBL2106741- UNII
- FIR46JMQ5Y
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- FDA UNII
- 46 JMQ5Y · FIR46JMQ5Y
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
1 records
Compound notes
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