Nabilone
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
Molecular Identity
Nabilone
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
PubChem CID: 5284592
2D Structure
Properties
C24H36O3
Molecular Formula
372.50
Molecular Weight
g/mol
372.2664
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
524
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCC(C)(C)C1=CC(=C2C3CC(=O)CCC3C(OC2=C1)(C)C)OIsomeric SMILES
SMILES: CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=O)CC[C@H]3C(OC2=C1)(C)C)OSynonyms(20)
NabiloneCesamet51022-71-0NabilonaNabilonum2N4O9L084NCPD 109514CPD-109514DTXSID8023341(6AR,10AR)-1-HYDROXY-6,6-DIMETHYL-3-(2-METHYLOCTAN-2-YL)-6H,6AH,7H,8H,9H,10H,10AH-BENZO[C]ISOCHROMEN-9-ONELY 109514(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6H,6aH,7H,8H,9H,10H,10aH-benzo(c)isochromen-9-oneRefChem:56613A04AD11DTXCID501473954
Data from PubChem (NCBI)
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Drug Network
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