Home Other Building Blocks Amlodipine Diethyl Ester

Amlodipine Diethyl Ester

CAS No.:
140171-65-9
Catalog Number:
AG009D7O
Molecular Formula:
C21H27ClN2O5
Molecular Weight:
422.9025
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Product Description
Catalog Number:
AG009D7O
Chemical Name:
Amlodipine Diethyl Ester
CAS Number:
140171-65-9
Molecular Formula:
C21H27ClN2O5
Molecular Weight:
422.9025
MDL Number:
MFCD19704866
IUPAC Name:
diethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C21H27ClN2O5/c1-4-28-20(25)17-13(3)24-16(12-27-11-10-23)19(21(26)29-5-2)18(17)14-8-6-7-9-15(14)22/h6-9,18,24H,4-5,10-12,23H2,1-3H3
InChI Key:
BGGLOZPVAWMSEB-UHFFFAOYSA-N
SMILES:
NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OCC)c1ccccc1Cl
Properties
Complexity:
662  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.161g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
422.906g/mol
Monoisotopic Mass:
422.161g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties