Rovatirelin
(4S,5S)-5-methyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
Molecular Identity
Rovatirelin
(4S,5S)-5-methyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID: 9951059
2D Structure
Properties
C16H22N4O4S
Molecular Formula
366.40
Molecular Weight
g/mol
366.1362
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
129
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
546
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rovatirelin204386-76-5rovatirelinarovatireline9DL0X410PYKPS-0373S-0373(4S,5S)-5-methyl-N-((2S)-1-((2R)-2-methylpyrrolidin-1-yl)-1-oxo-3-((1,3-thiazol-4-yl)methyl)propan-2-yl)-2-oxo-1,3-oxazolidine-4-carboxamide(4S,5S)-5-methyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamiderovatirelinum(4S,5S)-5-methyl-N-((2S)-1-((2R)-2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl)-2-oxo-1,3-oxazolidine-4-carboxamideRefChem:179975Rovatirelin [INN]RAVATIRELINRavatirelin [INN]
Data from PubChem (NCBI)
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