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Amlodipine Dimethyl Ester

CAS No.:
140171-66-0
Catalog Number:
AG009D7J
Molecular Formula:
C19H23ClN2O5
Molecular Weight:
394.8493
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Product Description
Catalog Number:
AG009D7J
Chemical Name:
Amlodipine Dimethyl Ester
CAS Number:
140171-66-0
Molecular Formula:
C19H23ClN2O5
Molecular Weight:
394.8493
MDL Number:
MFCD19704867
IUPAC Name:
dimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C19H23ClN2O5/c1-11-15(18(23)25-2)16(12-6-4-5-7-13(12)20)17(19(24)26-3)14(22-11)10-27-9-8-21/h4-7,16,22H,8-10,21H2,1-3H3
InChI Key:
UDSAEMGNQXMCDF-UHFFFAOYSA-N
SMILES:
NCCOCC1=C(C(=O)OC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl
Properties
Complexity:
632  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.13g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
394.852g/mol
Monoisotopic Mass:
394.13g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties