cis Lacidipine
Basic information
- CAS
103890-79-5- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C\C(=O)OC(C)(C)C- InChIKey
GKQPCPXONLDCMU-PFONDFGASA-N- Molecular formula
- C26H33NO6
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.23078777
Names & identifiers
- Preferred name
- cis Lacidipine
- IUPAC
- diethyl 2,6-dimethyl-4-[2-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- cis Lacidipine
- Molecular formula
- C26H33NO6
- Molecular weight
- 455.54
Names & synonyms
cis Lacidipine103890-79-5cis-LacidipineLacidipine BP Impurity C3,5-DIETHYL 4-[2-[(1Z)-3-(1,1-DIMETHYLETHOXY)-3-OXO-1-PROPEN-1-YL]PHENYL]-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATEdiethyl 2,6-dimethyl-4-[2-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylateDiethyl (Z)-4-{2-[2-(tert-butoxycarbonyl)vinyl]phenyl}-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylateDiethyl 4-{2-[(1Z)-3-tert-butoxy-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateC26H33NO63,5-DIETHYL 4-{2-[(1Z)-3-(TERT-BUTOXY)-3-OXOPROP-1-EN-1-YL]PHENYL}-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATEDTXSID70514462GKQPCPXONLDCMU-PFONDFGASA-N
Show more names
Lacidipine Z isomerLacidipine Impurity 35-Diethyl 4-[2-[(1Z)-3-(1Laciasidone BP impurity C1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1Lacidipine Impurity 3(Lacidipine BP Impurity C)
diethyl (Z)-4-(2-(3-(tert-butoxy)-3-oxoprop-1-en-1-yl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateDiethyl 4-{2-[(tert-butoxycarbonyl)vinyl]phenyl}-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate;Diethyl 4-{2-[(tert-butoxycarbonyl)vinyl]phenyl}-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylateTox21 112174MFCD11977837G82567F574758(Z)-Diethyl 4-(2-(3-(tert-butoxy)-3-oxoprop-1-en-1-yl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatediethyl 4-[2-[(Z)-3-tert-butoxy-3-oxo-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
103890-79-5- PubChem CID
- 12989341
- DTXSID
DTXSID70514462- Nikkaji
- J3.042.543J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 805
Physicochemical properties
- Melting point
- 145 · 145 - 149°C
- Boiling point
- 558.4 · 558.4±50.0 °C(Predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3 · 3.00±0.70(Predicted)
- color
- White to Pale Yellow
- Stability
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesZ-Isomer of Lacidipine; a dihydropyridine calcium channel blocker. Antihypertensive.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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