
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

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 |
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c1ccccc1 | 0.2824 |
FDBF00023 | toluene |
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c1(ccccc1)C | 0.1268 |
FDBF00064 | N,N-dimethylmethanamine |
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N(C)(C)C | 0.0371 |
FDBF00066 | N-methylmethanamine |
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N(C)C | 0.0914 |
FDBF00068 | N-methylethanamine |
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N(CC)C | 0.0429 |
FDBF00289 | N,N-dimethylethanamine |
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C(C)N(C)C | 0.0299 |
FDBF00779 | nitrobenzene |
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O=N(=O)c1ccccc1 | 0.0134 |
FDBF01425 | N-methyl-1-phenyl-methanamine |
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N(C)Cc1ccccc1 | 0.0045 |
FDBF01426 | N,N-dimethyl-1-phenyl-methanamine |
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N(C)(C)Cc1ccccc1 | 0.0014 |
FDBF01427 | N-benzyl-N-methyl-ethanamine |
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N(C)(CC)Cc1ccccc1 | 0.0010 |