| Identification | Back Directory | [Name]
5H-Cyclohepta[b]pyridine-5,9-diol, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-, (5S,6S,9R)- | [CAS]
1289023-94-4 | [Synonyms]
Rimegepant Impurity 39
Rimegepant Impurity 50
5H-Cyclohepta[b]pyridine-5,9-diol, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-, (5S,6S,9R)- | [Molecular Formula]
C16H15F2NO2 | [MOL File]
1289023-94-4.mol | [Molecular Weight]
291.29 |
| Chemical Properties | Back Directory | [Boiling point ]
441.4±45.0 °C(Predicted) | [density ]
1.362±0.06 g/cm3(Predicted) | [pka]
13.08±0.60(Predicted) | [InChI]
InChI=1S/C16H15F2NO2/c17-12-5-1-3-9(14(12)18)10-6-7-13(20)15-11(16(10)21)4-2-8-19-15/h1-5,8,10,13,16,20-21H,6-7H2/t10-,13+,16-/m0/s1 | [InChIKey]
RSGBRYRHNRENCA-WNMQOVRZSA-N | [SMILES]
C12[C@H](O)CC[C@@H](C3=CC=CC(F)=C3F)[C@H](O)C1=CC=CN=2 |
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