Olorigliflozin
(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-[(1R)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Molecular Identity
Olorigliflozin
(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-[(1R)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
PubChem CID: 122660464
2D Structure
Properties
C23H27ClO7
Molecular Formula
450.90
Molecular Weight
g/mol
450.1445
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
615
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)C(C)O)O)O)O)ClIsomeric SMILES
SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)[C@@H](C)O)O)O)O)ClSynonyms(20)
RongliflozinOlorigliflozin2035989-50-36FP3NST6ZQRefChem:928186(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-[(1R)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triolDongze'an (China)olorigliflozin [INN]Rongliflozin free baseRongliflozin [WHO-DD]orb2944670CHEMBL5314927SCHEMBL18195012SCHEMBL30151188GTPL14656
Data from PubChem (NCBI)
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