HIT ID: HIT212670624
Cas No: 108700-03-4
分子式: C28H39ClN2O6
分子量: 535.08
常用名: Teludipine hydrochloride
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.84699
IUPAC: 3,5-diethyl 4-{2-[(1E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl}-2-[(dimethylamino)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC: 3,5-diethyl 4-{2-[(1E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl}-2-[(dimethylamino)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SMILES: Cl.CCOC(=O)C1=C(C)NC(CN(C)C)=C(C1c1ccccc1\C=C\C(=O)OC(C)(C)C)C(=O)OCC |c:5,13|
SMILES: Cl.CCOC(=O)C1=C(C)NC(CN(C)C)=C(C1c1ccccc1\C=C\C(=O)OC(C)(C)C)C(=O)OCC |c:5,13|
InChI key: VMZCXIGDNRMWGI-GEEYTBSJSA-N
