Ozanimod Hydrochloride
5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
Molecular Identity
Ozanimod Hydrochloride
5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
PubChem CID: 91618104
2D Structure
Properties
C23H25ClN4O3
Molecular Formula
440.90
Molecular Weight
g/mol
440.1615
Exact Mass
Da
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#N.ClIsomeric SMILES
SMILES: CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCCO)C#N.ClSynonyms(20)
Ozanimod hydrochloride1618636-37-53UPR33JAAMRPC1063 HCLZeposiaRPC1063 HYDROCHLORIDERPC-1063 HCLRPC-1063 HYDROCHLORIDEDTXSID201026489Benzonitrile, 5-(3-((1S)-2,3-dihydro-1-((2-hydroxyethyl)amino)-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-(1-methylethoxy)-, hydrochloride (1:1)Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-, hydrochloride (1:1)ZEPOSIA Starter KitRefChem:58152ZEPOSIA 7-Day Starter PackDTXCID901510667
Data from PubChem (NCBI)
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