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Amlodipine Di-Phthalimide Impurity

CAT: 1596-AR-A02006-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02006-01Size:10 Units
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CAS Number
223734-98-3
Synonyms
Methyl 4- (2-chlorophenyl) -5- (4- (1,3-dioxoisoindolin-2-yl) butanoyl) -6- ((2- (1,3-dioxoisoindolin-2-yl) ethoxy) methyl) -2-methyl-1,4-dihydropyridine-3-carboxylate; L-Aspartate Amlodipine; Amlodipine Aspartate;4- (2-chlorophenyl) -2-[[2-[ (1,2-dicarboxyethyl) amino]ethoxy]methyl]-1,4-dihydro-6-methyl-3,5-Pyridinedicarboxylic acid 3-ethyl 5-methyl ester
Molecular Formula
C37H32ClN3O8
Molecular Weight
682.14
API Name
Amlodipine

Chemical Information

3-Pyridinecarboxylic acid, 4-(2-chlorophenyl)-6-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]methyl]-5-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxobutyl]-1,4-dihydro-2-methyl-, methyl ester
CAS Number223734-98-3
PubChem CID165366063
IUPAC Namemethyl 4-(2-chlorophenyl)-5-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-6-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Molecular FormulaC37H32ClN3O8
Molecular Weight682.1
XLogP3.9
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count49
Formal Charge0
Complexity1390
SMILES
CC1=C(C(C(=C(N1)COCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6Cl)C(=O)OC
InChI
InChI=1S/C37H32ClN3O8/c1-21-30(37(47)48-2)31(26-14-7-8-15-27(26)38)32(29(42)16-9-17-40-33(43)22-10-3-4-11-23(22)34(40)44)28(39-21)20-49-19-18-41-35(45)24-12-5-6-13-25(24)36(41)46/h3-8,10-15,31,39H,9,16-20H2,1-2H3
InChIKey
NHVDPQDXBLKGPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridinecarboxylic acid, 4-(2-chlorophenyl)-6-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]methyl]-5-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxobutyl]-1,4-dihydro-2-methyl-, methyl ester
CAS: 223734-98-3
CID: 165366063
Formula: C37H32ClN3O8
MW: 682.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.1
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass681.1877927
Monoisotopic Mass681.1877927
Topological Polar Surface Area139 Ų
Heavy Atom Count49
Formal Charge0
Complexity1390
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

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