HIT ID: HIT212083202
Cas No: 219861-08-2
分子式: C22H23FN2O5
分子量: 414.433
常用名: Escitalopram Oxalate
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 3.132
IUPAC: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile; oxalic acid
IUPAC: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile; oxalic acid
SMILES: OC(=O)C(O)=O.CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
SMILES: OC(=O)C(O)=O.CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
InChI key: KTGRHKOEFSJQNS-BDQAORGHSA-N
