Mesudipine
Basic information
- CAS
62658-88-2- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccnc1SC- InChIKey
DYGIPCPWPHKLMC-UHFFFAOYSA-N- Molecular formula
- C19H24N2O4S
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.14567842
Overview
Mesudipine is a small molecule drug. The usage of the INN stem '-dipine' in the name indicates that Mesudipine is a calcium channel blocker, nifedipine derivative. Mesudipine has a monoisotopic molecular weight of 376.15 Da.
Names & identifiers
- Preferred name
- Mesudipine
- IUPAC
- diethyl 2,6-dimethyl-4-(2-methylsulfanyl-3-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- mesudipine
- Molecular formula
- C19H24N2O4S
- Molecular weight
- 376.47
Names & synonyms
Mesudipine62658-88-2MesudipinoMesudipinumDT27W93DFFRefChem:156692263-677-3Mesudipine [INN]Diethyl 1',4'-dihydro-2',6'-dimethyl-2-(methylthio)(3,4'-bipyridine)-3',5'-dicarboxylateMesudipinum [INN-Latin]Mesudipino [INN-Spanish]UNII-DT27W93DFF
Show more names
diethyl 2,6-dimethyl-4--1,4-dihydropyridine-3,5-dicarboxylate1',4'-Dihydro-2',6'-dimethyl-2-(methylthio)[3,4'-bipyridine]-3',5'-dicarboxylic acid diethyl ester[3,4'-Bipyridine]-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(methylthio)-, 3',5'-diethyl ester
EINECS 263-677-3diethyl 2,6-dimethyl-4-(2-methylsulfanylpyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylateSCHEMBL1900480CHEMBL2106863DTXSID00978230DYGIPCPWPHKLMC-UHFFFAOYSA-NNS00055730Q27276586
Database identifiers
- CAS
62658-88-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- FDA UNII
- 27 W93DFF · DT27W93DFF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…