Amlodipine

Athanor · official

C₂₀H₂₅ClN₂O₅ · 408.9 g/mol

IUPAC name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Also called Norvasc, calcium channel blocker

Drugs Rings

Open in Athanor

Drawn from its SMILES with RDKit

DangerToxic if swallowed · Causes serious eye damage · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Synonyms: Norvasc, calcium channel blocker, Amlodipino
+ 36 more
Amlodipinum, Amlodipine Free Base, 3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, CHEBI:2668, 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, HGP0904, HGP-0904, 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, 1J444QC288, DTXSID7022596, CKD-330 COMPONENT AMLODIPINE, 3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, O3-ethyl O5-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-Ethyl 5-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate, 3-Ethyl-5-methyl (+-)-2-((2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate, amlodipina, Astudal 5, RefChem:6378, Amlodipine Maleate (1:1), DTXCID302596, C08CA01, 425-820-1, 618-119-7, AMLODIPINE BASE, Istin, MFCD00864687, Norvasc (TN), Amlocard, Amlodis, Coroval, Lipinox, 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, UK-4834011, Amlodipinum [Latin], Amlodipino [Spanish], Pelmec
Molecular formula: C₂₀H₂₅ClN₂O₅
Empirical formula: C₂₀H₂₅ClN₂O₅
Molecular weight: 408.9 g/mol
Exact mass: 408.14520
CAS number: 88150-42-9
PubChem CID: 2162
Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
Isomeric SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
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
InChIKey: HTIQEAQVCYTUBX-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

log P: log Kow = 3.00[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 28
Rings: 2
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0.4
H-bond donors: 2
H-bond acceptors: 7
Rotatable bonds: 8 computed here · PubChem 10
TPSA (Å²): 99.9
Formal charge: 0
XLogP3: 3 PubChem
Complexity: 647 PubChem
Stereocenters: 0 defined, 1 undefinedCIP: C21: undefined
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C58.75%
H6.16%
Cl8.67%
N6.85%
O19.56%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 2.27 Crippen (Wildman and Crippen 1999)
log S (water solubility): -3.43 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.93 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 408.88
log P ≤ 5 (Crippen): 2.27
H-bond donors ≤ 5: 2
H-bond acceptors ≤ 10: 7

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [2].

Corrosive
Acute toxicity
Health hazard
Environmental hazard

H301Toxic if swallowed
H318Causes serious eye damage
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P260, P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P319, P321, P330, P391, P405, P501

View all classifications (4)

[2] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH301, H318, H400, H410
[3] European Chemicals Agency (ECHA) · 5 reports · DangerH301, H315, H318, H373, H400, H410
[3] European Chemicals Agency (ECHA) · 3 reports · DangerH301, H314, H318, H341, H373, H400, H410, H411
[1] Hazardous Substances Data Bank (HSDB) · WarningH302

Storage

Keep container tightly closed in a dry and well-ventilated place. (amlodipine besylate)[1]
Store bottles at controlled room temperature, 59 deg to 86 °F (15 deg to 30 °C) and dispense in tight, light-resistant containers.[1]

Incompatibilities

Incompatible materials: Strong oxidizing agents. (amlodipine besylate)[1]

Safety data sheets on the supplier’s page: Vitas-M Laboratory, Pi Chemicals, Achemtek.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[2]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[3]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[4]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[5]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[8]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.