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Amlodipine Impurity 63

CAT: 1299-RM-A131263-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A131263-02Size:25 mg
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CAS Number
331258-31-2
Synonyms
Diethyl 2,6-bis ((2-aminoethoxy) methyl) -4- (2-chlorophenyl) -1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula
C23H32ClN3O6
Molecular Weight
481.97
Target Alternative Name
Amlodipine
Product Name Synonym
Diethyl 2,6-bis ((2-aminoethoxy) methyl) -4- (2-chlorophenyl) -1,4-dihydropyridine-3,5-dicarboxylate

Chemical Information

Diethyl 2,6-bis((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number331258-31-2
PubChem CID135741693
IUPAC Namediethyl 2,6-bis(2-aminoethoxymethyl)-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC23H32ClN3O6
Molecular Weight482.0
XLogP1.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count33
Formal Charge0
Complexity679
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)COCCN)COCCN
InChI
InChI=1S/C23H32ClN3O6/c1-3-32-22(28)20-17(13-30-11-9-25)27-18(14-31-12-10-26)21(23(29)33-4-2)19(20)15-7-5-6-8-16(15)24/h5-8,19,27H,3-4,9-14,25-26H2,1-2H3
InChIKey
CMJMFGWMGFKEFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 2,6-bis((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS: 331258-31-2
CID: 135741693
Formula: C23H32ClN3O6
MW: 482.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.0
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass481.1979634
Monoisotopic Mass481.1979634
Topological Polar Surface Area135 Ų
Heavy Atom Count33
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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