Responsive image

Common name


Lacidipine

IUPAC name


3,5-diethyl 4-{2-[(1E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

SMILES


CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC

Compound class


Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects;

Therapeutic area


For the treatment of hypertension.

Common name


Lacidipine

IUPAC name


3,5-diethyl 4-{2-[(1E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

SMILES


CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC

INCHI


InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+

FORMULA


C26H33NO6

Responsive image

Common name


Lacidipine

IUPAC name


3,5-diethyl 4-{2-[(1E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Molecular weight


455.543

clogP


5.048

clogS


-5.537

HBond Acceptor


6

HBond Donor


1

Total Polar
Surface Area


90.93

Number of Rings


2

Rotatable Bond


11

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00012 isobutane Responsive image C(C)(C)C 0.0611
FDBF01971 acrylic acid Responsive image O=C(O)C=C 0.0027
FDBF02666 (E)-3-phenylprop-2-enoic acid Responsive image c1(ccccc1)C=CC(=O)O 0.0007
FDBF04316 tert-butyl prop-2-enoate Responsive image O(C(=O)C=C)C(C)(C)C 0.0003
5 , 1