Molecules/3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline
3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline
7-[4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydropyrazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular Identity
3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline
7-[4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydropyrazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID: 168301722
2D Structure
Properties
C23H24FN3O9
Molecular Formula
505.40
Molecular Weight
g/mol
505.1497
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
171
TPSA
May have limited oral absorption
5
H-Bond Donors
13
H-Bond Acceptors
988
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C=C4)C5C(C(C(C(O5)C(=O)O)O)O)O)F)C(=O)OIsomeric SMILES
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)F)C(=O)OSynonyms(3)
3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinolineCWGBMWFHBQHVMG-JRSUCEMESA-NUSL
Data from PubChem (NCBI)
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Molecular Structure
3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline
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Drug Network
Trials and conditions connected to 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline
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