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Amlodipine base

CAT: 0926-FA61536-05Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-FA61536-05Size:500 g
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CAS Number
88150-42-9
Synonyms
3-Ethyl 5-methyl 2- ((2-aminoethoxy) methyl) -4- (2-chlorophenyl) -6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
MDL Number
MFCD00864687
Smiles
CCOC (=O) C1=C (NC (=C (C1C2=CC=CC=C2Cl) C (=O) OC) C) COCCN
Molecular Formula
C20H25ClN2O5
Molecular Weight
408.88 g/mol
Controlled
No

Chemical Information

Amlodipine

Amlodipine is a fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. It has a role as a vasodilator agent, an antihypertensive agent and a calcium channel blocker. It is an ethyl ester, a methyl ester, a dihydropyridine, a primary amino compound and a member of monochlorobenzenes.

CAS Number88150-42-9
PubChem CID2162
IUPAC Name3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC20H25ClN2O5
Molecular Weight408.9
XLogP3
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity647
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
Chemical Structure
2D Structure
2D structure of Amlodipine
CAS: 88150-42-9
CID: 2162
Formula: C20H25ClN2O5
MW: 408.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.9
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass408.1451996
Monoisotopic Mass408.1451996
Topological Polar Surface Area99.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes