Chemical Compound

XHCKCBJEAFTKOK-OQIAWNOFSA-N

XHCKCBJEAFTKOK-OQIAWNOFSA-N chemical structure
Primary Record

XHCKCBJEAFTKOK-OQIAWNOFSA-N

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
86722370
SMILES
C1C[C@@H]2C[C@](CC[C@]2(C3=C(C1)C=C4C(=C3)C=NN4C5=CC=C(C=C5)F)C#N)(C(F)(F)F)O.C1C[C@H]2C[C@@](CC[C@@]2(C3=C(C1)C=C4C(=C3)C=NN4C5=CC=C(C=C5)F)C#N)(C(F)(F)F)O
Canonical SMILES
N#C[C@@]12CC[C@](O)(C(F)(F)F)C[C@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12.N#C[C@]12CC[C@@](O)(C(F)(F)F)C[C@@H]1CCCc1cc3c(cnn3-c3ccc(F)cc3)cc12

Names & Synonyms

  • XHCKCBJEAFTKOK-OQIAWNOFSA-N
  • (3R,4aR,12bS)-9-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1,2,3,4,4a,5,6,7,9,12b-decahydrobenzo[6,7]cyclohepta[1,2-f]indazole-12b-carbonitrile; compound with (3S,4aS,12bR)-9-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1,2,3,4,4a,5,6,7,9,12b-decahydrobenzo[6,7]cyclohepta[1,2-f]indazole-12b-carbonitrile