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Common name


Amlodipine

IUPAC name


3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

SMILES


CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC

Compound class


Antihypertensive Agents; Vasodilator Agents; Calcium Channel Blockers; Antianginal Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Calcium Channel Blockers; ACE Inhibitors and Calcium Channel Blockers; Renin-Inhibitors; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


For the treatment of hypertension and chronic stable angina.

Common name


Amlodipine

IUPAC name


3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

SMILES


CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC

INCHI


InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3

FORMULA


C20H25ClN2O5

Responsive image

Common name


Amlodipine

IUPAC name


3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Molecular weight


408.876

clogP


3.213

clogS


-5.013

HBond Acceptor


5

HBond Donor


3

Total Polar
Surface Area


99.88

Number of Rings


2

Rotatable Bond


10

Drug ID Common name Structure CAS SMILE Frequency
FDBF00016 chlorobenzene Responsive image c1ccc(cc1)Cl 0.0718
FDBF00040 ethanamine Responsive image CCN 0.0677
FDBF00158 methoxymethane Responsive image COC 0.0374
FDBF00839 2-methoxyethanamine Responsive image O(C)CCN 0.0007
5 , 1