Desmethyl amolodipine

Base Information

• Chemical Name: Desmethyl amolodipine
• CAS No.: 113994-37-9
• Molecular Formula: C19H23 Cl N2 O5
• Molecular Weight: 394.85
• UNII: 9E53WV978A
• DSSTox Substance ID: DTXSID201114498
• Mol file: 113994-37-9.mol

Synonyms:Desmethyl amolodipine;113994-37-9;3-O-Desmethyl Amlodipine;6-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid;3-Ethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate;Amlodipine Impurity 7;6-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-5-(ethoxycarbonyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid;6-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-5-(ethoxycarbonyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid;Desmethylamolodipine (M6);9E53WV978A;DTXSID201114498;3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl ester

Chemical Property of Desmethyl amolodipine

Chemical Property:

• Melting Point: 168-170 °C
• Boiling Point: 548.8±50.0 °C(Predicted)
• PKA: 1.56±0.70(Predicted)
• PSA: 110.88000
• Density: 1.283
• LogP: 3.20700
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 394.1295495
• Heavy Atom Count: 27
• Complexity: 632

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)O)C)COCCN