Fosrolapitant
HIT218929710
sdf文件结构编辑类似物检索
HIT ID: HIT218929710
Cas No: 2573694-38-7
分子式: C27H29F6N2O8P
分子量: 654.499
常用名: Fosrolapitant
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {[(5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decane-7-carbonyloxy]methoxy}phosphonic acid
IUPAC: {[(5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decane-7-carbonyloxy]methoxy}phosphonic acid
SMILES: C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1C(=O)OCOP(O)(O)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
SMILES: C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1C(=O)OCOP(O)(O)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI key: PKXQGSOAMISYFP-LJXNEXSDSA-N
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