HIT ID: HIT102627143
Cas No: 89778-27-8
分子式: C32H36ClNO8
分子量: 598.09
常用名: Toremifene citrate
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 6.531000000000001e+000
IUPAC: (2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
IUPAC: (2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1
InChI key: IWEQQRMGNVVKQW-OQKDUQJOSA-N
