Olorinab
(2S,4S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
Molecular Identity
Olorinab
(2S,4S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID: 60164925
2D Structure
Properties
C18H23N5O3
Molecular Formula
357.40
Molecular Weight
g/mol
357.1801
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
553
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Olorinab1268881-20-4APD371APD-371581F7DFA9B(2S,4S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamideolorinabum(2S,4S)-N-((2S)-1-hydroxy-3,3-dimethylbutan-2-yl)-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo(4.3.0.02,4)nona-1(6),7-diene-7-carboxamideRefChem:928187DTXCID001531484DTXSID101099756(4aS,5aS)-4,4a,5,5a-Tetrahydro-N-((1S)-1-(hydroxymethyl)-2,2-dimethylpropyl)-1-(4-oxido-2-pyrazinyl)-1H-cyclopropa(4,5)cyclopenta(1,2-c)pyrazole-3-carboxamide3-((2S,4S)-7-(((2S)-1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl)-8,9-diazatricyclo(4.3.0.0^(2,4))nona-1(6),7-dien-9-yl)pyrazin-1-ium-1-olateAPD 371 - Bio-XOlorinab [USAN]
Data from PubChem (NCBI)
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