Nantradol HCl
HIT212717377
sdf文件结构编辑类似物检索
HIT ID: HIT212717377
Cas No: 65511-42-4
分子式: C27H36ClNO4
分子量: 474.04
常用名: Nantradol HCl
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 4.806177
IUPAC: 9-hydroxy-6-methyl-3-[(5-phenylpentan-2-yl)oxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl acetate hydrochloride
IUPAC: 9-hydroxy-6-methyl-3-[(5-phenylpentan-2-yl)oxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl acetate hydrochloride
SMILES: Cl.CC(CCCc1ccccc1)Oc1cc2NC(C)C3CCC(O)CC3c2c(OC(C)=O)c1
SMILES: Cl.CC(CCCc1ccccc1)Oc1cc2NC(C)C3CCC(O)CC3c2c(OC(C)=O)c1
InChI key: NSOGAHPJIFTUHV-UHFFFAOYSA-N
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