Amlodipine besylate

C₂₆H₃₁ClN₂O₈SCAS 111470-99-6567.05 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ester Ether Primary amine Secondary amine Sulfonic acid

Properties

Molecular formula: C₂₆H₃₁ClN₂O₈S
Molar mass: 567.05 g/mol
Exact mass: 566.1490 Da
Melting point: 178–179 °C
logP: 3.20Crippen estimate
Polar surface area: 154.3 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 9

Hazards

Danger

H302 Harmful if swallowed96.6% of notifiers
H315 Causes skin irritation71% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation74.4% of notifiers
H332 Harmful if inhaled30.7% of notifiers
H335 May cause respiratory irritation70.5% of notifiers
H361d Suspected of damaging the unborn child29.5% of notifiers
H400 Very toxic to aquatic life20.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects20.5% of notifiers
H411 Toxic to aquatic life with long lasting effects36.4% of notifiers

Aggregated from 176 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

111470-99-6

SMILES

CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1

InChIKey

ZPBWCRDSRKPIDG-UHFFFAOYSA-N

InChI

InChI=1S/C20H25ClN2O5.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)

Weigh it out

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

Names and synonyms

39 names · show all

3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, benzenesulfonate (1:1)
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, monobenzenesulfonate
Benzenesulfonic acid, compd. with 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate (1:1)
UK 48340-26
Norvasc
Amlodipine benzenesulfonate
Istin
(±)-3-Ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate monobenzenesulfonate
Lowrac
Amcard
Amlodin
Amdepin
Amdipin
Amlosyn
Calchek
Norvas
Norvask
Tensivask
Amlopin
Amlor
Monopina
Antacal
Amlodipine benzenesulfonate salt
(±)-Amlodipine besylate
Amlodis
Amlodin OD
Vazkor
Normodipine
Amlogard
Amlopers 5
AM Arya 5
Amilo
Alkapress
Myodura
Cardilopin
Amlovas
Alopres
Regcor
Lodipressin

Work with Amlodipine besylate

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.

Benzenesulfonic acid98-11-3Free acid (-)-Amlodipine103129-82-4Free base, defined stereoisomer Amlodipine88150-42-9Free base Sodium benzenesulfonate515-42-4Salt Bepotastine besilate190786-44-8Salt Atracurium besylate64228-81-5Salt Cisatracurium besylate96946-42-8Salt DS 5565 besylate1138245-21-2Salt 4-Formyl-1-methylpyridinium benzenesulphonate82228-89-5Salt R406841290-81-1Salt Amlodipine maleate88150-47-4Salt

Similar compounds

Phthaloylamlodipine88150-62-365 % similar Felodipine72509-76-354 % similar Felodipine86189-69-754 % similar Clevidipine167221-71-843 % similar Nitrendipine39562-70-440 % similar Lacidipine103890-78-436 % similar Nisoldipine63675-72-936 % similar Nifedipine21829-25-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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