Name: Cebranopadol
Rating: 5 (10 reviews)

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HIT ID:HIT212005346
Cas No:863513-91-1
常用名:Cebranopadol
IUPAC:(1r)-6'-fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine
IUPAC:(1r)-6'-fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine
InChI key:CSMVOZKEWSOFER-RQNOJGIXSA-N

分子式:C24H27FN2O
分子量:378.491
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:4.7436852
SMILES:CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |wU:3.2,wD:6.9,3.25,(17.15,12.48,;16.12,13.63,;15.09,12.48,;15.65,15.09,;14.17,14.67,;13.06,15.74,;13.43,17.23,;14.91,17.66,;16.02,16.59,;13.8,18.72,;12.7,19.79,;11.22,19.37,;10.84,17.87,;11.95,16.81,;11.28,15.42,;9.75,15.63,;8.57,14.64,;7.12,15.17,;6.86,16.69,;5.41,17.21,;8.04,17.68,;9.48,17.15,;17.13,14.67,;18.24,15.74,;19.72,15.31,;20.09,13.82,;18.98,12.75,;17.5,13.17,)|
SMILES:CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |wU:3.2,wD:6.9,3.25,(17.15,12.48,;16.12,13.63,;15.09,12.48,;15.65,15.09,;14.17,14.67,;13.06,15.74,;13.43,17.23,;14.91,17.66,;16.02,16.59,;13.8,18.72,;12.7,19.79,;11.22,19.37,;10.84,17.87,;11.95,16.81,;11.28,15.42,;9.75,15.63,;8.57,14.64,;7.12,15.17,;6.86,16.69,;5.41,17.21,;8.04,17.68,;9.48,17.15,;17.13,14.67,;18.24,15.74,;19.72,15.31,;20.09,13.82,;18.98,12.75,;17.5,13.17,)|

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