Responsive image

Common name


Nicardipine

IUPAC name


3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-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)OCCN(C)CC1=CC=CC=C1

Compound class


Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Adrenergic alpha-1 Receptor Antagonists; Dihydropyridines; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


Used for the management of patients with chronic stable angina and for the treatment of hypertension.

Common name


Nicardipine

IUPAC name


3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-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)OCCN(C)CC1=CC=CC=C1

INCHI


InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3

FORMULA


C26H29N3O6

Responsive image

Common name


Nicardipine

IUPAC name


3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Molecular weight


479.525

clogP


3.121

clogS


-6.031

HBond Acceptor


7

HBond Donor


1

Total Polar
Surface Area


119.68

Number of Rings


3

Rotatable Bond


11

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00023 toluene Responsive image c1(ccccc1)C 0.1268
FDBF00064 N,N-dimethylmethanamine Responsive image N(C)(C)C 0.0371
FDBF00066 N-methylmethanamine Responsive image N(C)C 0.0914
FDBF00068 N-methylethanamine Responsive image N(CC)C 0.0429
FDBF00289 N,N-dimethylethanamine Responsive image C(C)N(C)C 0.0299
FDBF00779 nitrobenzene Responsive image O=N(=O)c1ccccc1 0.0134
FDBF01425 N-methyl-1-phenyl-methanamine Responsive image N(C)Cc1ccccc1 0.0045
FDBF01426 N,N-dimethyl-1-phenyl-methanamine Responsive image N(C)(C)Cc1ccccc1 0.0014
FDBF01427 N-benzyl-N-methyl-ethanamine Responsive image N(C)(CC)Cc1ccccc1 0.0010
10 , 2