Lactandrate
HIT212716745
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HIT ID: HIT212716745
Cas No: 43000-65-3
分子式: C31H44Cl2N2O3
分子量: 563.6
常用名: Lactandrate
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 6.055166
IUPAC: (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-octadecahydronaphtho[2,1-f]quinolin-8-yl 2-{4-[bis(2-chloroethyl)amino]phenyl}acetate
IUPAC: (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-octadecahydronaphtho[2,1-f]quinolin-8-yl 2-{4-[bis(2-chloroethyl)amino]phenyl}acetate
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)Cc3ccc(cc3)N(CCCl)CCCl)[C@@H]1CCC(=O)N2
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)Cc3ccc(cc3)N(CCCl)CCCl)[C@@H]1CCC(=O)N2
InChI key: JMZJBCNHUJOLER-AYQCGTONSA-N
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