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79925-38-5 | Nemadipine-B
CAS No: 79925-38-5 Catalog No: AG004Z9D MDL No:MFCD02673628
Product Description
Catalog Number:
AG004Z9D
Chemical Name:
Nemadipine-B
CAS Number:
79925-38-5
Molecular Formula:
C19H21Cl2NO4
Molecular Weight:
398.2803
MDL Number:
MFCD02673628
IUPAC Name:
diethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C19H21Cl2NO4/c1-5-25-18(23)14-10(3)22-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13(20)17(12)21/h7-9,16,22H,5-6H2,1-4H3
InChI Key:
BLLWOXSSRQPDAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OCC)C
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.085g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.28g/mol
Monoisotopic Mass:
397.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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