Amlodipine maleate

C₂₄H₂₉ClN₂O₉CAS 88150-47-4524.95 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid Ester Ether Primary amine Secondary amine

Properties

Molecular formula: C₂₄H₂₉ClN₂O₉
Molar mass: 524.95 g/mol
Exact mass: 524.1562 Da
Melting point: 174.23 °C
logP: 1.98Crippen estimate
Polar surface area: 174.5 Å²
H-bond donors / acceptors: 4 / 9
Rotatable bonds: 10

Hazards

Danger

H301 Toxic if swallowed40% of notifiers
H302 Harmful if swallowed60% of notifiers
H311 Toxic in contact with skin20% of notifiers
H315 Causes skin irritation20% of notifiers
H318 Causes serious eye damage20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H331 Toxic if inhaled20% of notifiers
H335 May cause respiratory irritation20% of notifiers
H361 Suspected of damaging fertility or the unborn child20% of notifiers
H411 Toxic to aquatic life with long lasting effects60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

88150-47-4

SMILES

CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=CC(=O)O

InChIKey

TZNOWAJJWCGILX-UHFFFAOYSA-N

InChI

InChI=1S/C20H25ClN2O5.C4H4O4/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;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (2Z)-2-butenedioate (1:1)
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (Z)-2-butenedioate (1:1)
UK 48340-11

Work with Amlodipine maleate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid Amlodipine88150-42-9Free base (-)-Amlodipine103129-82-4Free base, defined stereoisomer Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Pyrilamine maleate59-33-6Salt Chlorpheniramine maleate113-92-8Salt Timolol maleate26921-17-5Salt, defined stereoisomer Sodium fumarate5873-57-4Salt, defined stereoisomer Amlodipine besylate111470-99-6Salt

Similar compounds

Phthaloylamlodipine88150-62-368 % similar Felodipine72509-76-356 % similar Felodipine86189-69-756 % similar Clevidipine167221-71-844 % similar Nitrendipine39562-70-442 % similar Lacidipine103890-78-440 % similar Nisoldipine63675-72-937 % similar Nifedipine21829-25-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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