Enavogliflozin
(2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
Enavogliflozin
(2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 71076840
2D Structure
Properties
C24H27ClO6
Molecular Formula
446.90
Molecular Weight
g/mol
446.1496
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
99.4
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C2=CC=C(C=C2)CC3=CC(=C4CCOC4=C3Cl)C5C(C(C(C(O5)CO)O)O)OIsomeric SMILES
SMILES: C1CC1C2=CC=C(C=C2)CC3=CC(=C4CCOC4=C3Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)OSynonyms(20)
Enavogliflozin1415472-28-4DWP-16001Z5MR2Y1IJJDWP16001(2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triolODP9401ODP-9401(1S)-1,5-Anhydro-1-C-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-D-glucitolD-Glucitol, 1,5-anhydro-1-C-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-, (1S)-(2S,3R,4R,5S,6R)-2-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-1-benzofuran-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:136745Enavogliflozin [INN]UNII-Z5MR2Y1IJJ(2S,3R,4R,5S,6R)-2-(7-chloro-6-(4-cyclopropylbenzyl)-2,3-dihydrobenzofuran-4-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Data from PubChem (NCBI)
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