Responsive image

Common name


Nisoldipine

IUPAC name


3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES


COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C

Compound class


Antihypertensive Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


For the treatment of hypertension. It may be used alone or in combination with other antihypertensive agents.

Common name


Nisoldipine

IUPAC name


3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES


COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C

INCHI


InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3

FORMULA


C20H24N2O6

Responsive image

Common name


Nisoldipine

IUPAC name


3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Molecular weight


388.414

clogP


2.646

clogS


-4.648

HBond Acceptor


6

HBond Donor


1

Total Polar
Surface Area


116.44

Number of Rings


2

Rotatable Bond


8

Drug ID Common name Structure CAS SMILE Frequency
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00012 isobutane Responsive image C(C)(C)C 0.0611
FDBF00779 nitrobenzene Responsive image O=N(=O)c1ccccc1 0.0134
3 , 1