Ronacaleret
3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid
Molecular Identity
Ronacaleret
3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid
PubChem CID: 10345214
2D Structure
Properties
C25H31F2NO4
Molecular Formula
447.50
Molecular Weight
g/mol
447.2221
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
78.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
590
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CC1CC2=CC=CC=C2C1)NCC(COC3=C(C(=CC(=C3)CCC(=O)O)F)F)OIsomeric SMILES
SMILES: CC(C)(CC1CC2=CC=CC=C2C1)NC[C@H](COC3=C(C(=CC(=C3)CCC(=O)O)F)F)OSynonyms(20)
Ronacaleret753449-67-1DIH95YP7J33-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acidSB-751689DTXSID608923473-{3-[(2R)-3-{[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino}-2-hydroxypropoxy]-4,5-difluorophenyl}propanoic acidronacaleretum3-(3-((2R)-3-((1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)-4,5-difluorophenyl)propanoic acidRefChem:179801DTXCID101079504Ronacaleret [INN]UNII-DIH95YP7J3SB 751689CHEMBL1198855
Data from PubChem (NCBI)
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