amlodipine
C₂₀H₂₅ClN₂O₅·408.900 g/mol·CID 2162
IUPAC: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Also known as: 88150-42-9, Amlodipino, Amlodipinum, Amlodipine Free Base, 3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
408.900g/mol
Exact Mass
408.145200Da
Monoisotopic Mass
408.145200Da
XLogP
3.0
Polar Surface Area
99.9Ų
Complexity
647
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
7
Rotatable Bonds
10
Heavy Atoms
28
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 408.9 g/mol
MW ≤ 500
✓ 3.0
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 7
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH318Causes serious eye damageH400Very toxic to aquatic lifeH410Very toxic to aquatic life with long lasting effectsH315Causes skin irritationH373May causes damage to organs through prolonged or repeated exposureH314Causes severe skin burns and eye damageH341Suspected of causing genetic defectsH411Toxic to aquatic life with long lasting effectsH302Harmful if swallowed
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
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
Isomers8 compounds with formula C₂₀H₂₅ClN₂O₅
3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 9822750 · 408.9 g/mol
5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 198526 · 408.9 g/mol
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 12112308 · 408.9 g/mol
6-hydroxy-8-[1-hydroxy-2-[3-(3-methoxyphenyl)propylamino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 156009485 · 408.9 g/mol
6-hydroxy-8-[1-hydroxy-2-[3-(4-methoxyphenyl)propylamino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 156010795 · 408.9 g/mol
6-hydroxy-8-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 156019921 · 408.9 g/mol
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(6-propylpyridazin-3-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46889644 · 408.9 g/mol
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(6-propan-2-ylpyridazin-3-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46889645 · 408.9 g/mol