Ritivixibat
3-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,2,5-benzothiadiazepin-8-yl)oxy]propanoic acid
Molecular Identity
Ritivixibat
3-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,2,5-benzothiadiazepin-8-yl)oxy]propanoic acid
PubChem CID: 154618785
2D Structure
Properties
C26H36N2O5S2
Molecular Formula
520.70
Molecular Weight
g/mol
520.2066
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
130
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
758
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCCC(=O)O)SC)C3=CC=CC=C3)CCCCIsomeric SMILES
SMILES: CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCCC(=O)O)SC)C3=CC=CC=C3)CCCCSynonyms(19)
Ritivixibat2460667-52-93U7H6NE2KE3-((3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1Lambda6,2,5-benzothiadiazepin-8-yl)oxy)propanoic acid3-([3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1Lambda6,2,5-benzothiadiazepin-8-yl]oxy)propanoic acidRefChem:1098137ritivixibat [INN]orb1739858CHEMBL5314482SCHEMBL22285957GLXC-27912EX-A7355HY-148795CS-0641139T69622
Data from PubChem (NCBI)
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