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126254-02-2 | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[2-(methylamino)-1-phenylpropyl] ester, monohydrochloride, [4R-[4R*,5(1R*,2S*)]]- (9CI)
CAS No: 126254-02-2 Catalog No: AG000SFP MDL No:
Product Description
Catalog Number:
AG000SFP
Chemical Name:
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[2-(methylamino)-1-phenylpropyl] ester, monohydrochloride, [4R-[4R*,5(1R*,2S*)]]- (9CI)
CAS Number:
126254-02-2
IUPAC Name:
3-O-methyl 5-O-[2-(methylamino)-1-phenylpropyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
InChI:
InChI=1S/C26H29N3O6.ClH/c1-15-21(25(30)34-5)23(19-12-9-13-20(14-19)29(32)33)22(16(2)28-15)26(31)35-24(17(3)27-4)18-10-7-6-8-11-18;/h6-14,17,23-24,27-28H,1-5H3;1H
InChI Key:
IJLWQZVKLXSHPI-UHFFFAOYSA-N
Properties
Complexity:
871
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.182g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
515.991g/mol
Monoisotopic Mass:
515.182g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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