Chemical Compound

BNFHGVDXKAEMQG-XCYHNLPPSA-N

BNFHGVDXKAEMQG-XCYHNLPPSA-N chemical structure
Primary Record

BNFHGVDXKAEMQG-XCYHNLPPSA-N

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
86722336
SMILES
CCC[C@]1(CC[C@]2([C@H](C1)CCCC3=C2C=C4C=NN(C4=C3)C5=CC=C(C=C5)F)CC)O.CCC[C@@]1(CC[C@@]2([C@@H](C1)CCCC3=C2C=C4C=NN(C4=C3)C5=CC=C(C=C5)F)CC)O
Canonical SMILES
CCC[C@@]1(O)CC[C@]2(CC)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@H]2C1.CCC[C@]1(O)CC[C@@]2(CC)c3cc4cnn(-c5ccc(F)cc5)c4cc3CCC[C@@H]2C1

Names & Synonyms

  • BNFHGVDXKAEMQG-XCYHNLPPSA-N
  • (3S,4aR,12bR)-12b-Ethyl-9-(4-fluoro-phenyl)-3-propyl-1,2,3,4,4a,5,6,7,9,12b-decahydro-9,10-diaza-benzo[3,4]cyclohepta[1,2-f]inden-3-ol; compound with (3R,4aS,12bS)-12b-ethyl-9-(4-fluoro-phenyl)-3-propyl-1,2,3,4,4a,5,6,7,9,12b-decahydro-9,10-diaza-benzo[3,4]cyclohepta[1,2-f]inden-3-ol