p-Cl-Amlodipine
C₂₀H₂₅ClN₂O₅·408.900 g/mol·CID 12112308
IUPAC: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Also known as: 90445-02-6, 3-Ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, UAW4QU6QP9, CHEMBL44662, SCHEMBL10886798 (+3 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
639
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
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)13-5-7-14(21)8-6-13/h5-8,17,23H,4,9-11,22H2,1-3H3
Isomers8 compounds with formula C₂₀H₂₅ClN₂O₅
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2162 · 408.9 g/mol
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
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