Ethyl 4-(3-Aminophenyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate - CAS 138135-48-5
Catalog: |
BB008720 |
Product Name: |
Ethyl 4-(3-Aminophenyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate |
CAS: |
138135-48-5 |
Synonyms: |
4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester; 5-O-ethyl 3-O-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
IUPAC Name: | 5-O-ethyl 3-O-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
Description: | Ethyl 4-(3-Aminophenyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (CAS# 138135-48-5) is a useful research chemical. |
Molecular Weight: | 330.38 |
Molecular Formula: | C18H22N2O4 |
Canonical SMILES: | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)N)C(=O)OC)C)C |
InChI: | InChI=1S/C18H22N2O4/c1-5-24-18(22)15-11(3)20-10(2)14(17(21)23-4)16(15)12-7-6-8-13(19)9-12/h6-9,16,20H,5,19H2,1-4H3 |
InChI Key: | MHIDUZTVAKDYMR-UHFFFAOYSA-N |
LogP: | 3.14970 |
Publication Number | Title | Priority Date |
WO-2005042486-A1 | 1,4-dihydropyridine compounds, pharmaceutical compositions, and methods for the treatment of cardiovascular disease | 20031103 |
JP-H08337570-A | Dihydropyridine neuropeptide Y antagonist | 19950607 |
JP-H0912572-A | Dihydropyridine NPY antagonist which is a nitrogen heterocycle derivative | 19950607 |
CA-2047741-A1 | Process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines | 19890217 |
EP-0383320-A1 | A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines | 19890217 |
Complexity: | 580 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.15795719 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.15795719 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 90.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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