Chem
J-GLOBAL ID：200907076074263174   Nikkaji number：J2.775.232B

Grepafloxacin glucuronide

グレパフロキサシングルクロニド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C25H30FN3O9
Molecular formula furigana： C25-H30-F-N3-O9
Molecular weight： 535.525
InChI： InChI=1S/C25H30FN3O9/c1-10-8-28(6-5-27-10)15-7-14-16(11(2)17(15)26)18(30)13(9-29(14)12-3-4-12)24(36)38-25-21(33)19(31)20(32)22(37-25)23(34)35/h7,9-10,12,19-22,25,27,31-33H,3-6,8H2,1-2H3,(H,34,35)/t10?,19-,20-,21+,22-,25-/m0/s1
InChI key： XFRNDEMKHRYQIZ-NWHISXNDSA-N
SMILES： CC1CN(CCN1)c1cc2n(cc(C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c(=O)c2c(C)c1F)C1CC1
Systematic name  (3)：
  • 1-シクロプロピル-6-フルオロ-3-[(β-D-グルコピラヌロノシルオキシ)カルボニル]-5-メチル-7-(3-メチルピペラジノ)キノリン-4(1H)-オン
  • (2S,3S,4S,5R,6S)-6-[1-シクロプロピル-6-フルオロ-5-メチル-7-(3-メチルピペラジン-1-イル)-4-オキソ-1,4-ジヒドロキノリン-3-カルボニルオキシ]-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-6-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (4)：
  • 1-Cyclopropyl-6-fluoro-3-[(β-D-glucopyranuronosyloxy)carbonyl]-5-methyl-7-(3-methylpiperazino)quinoline-4(1H)-one
  • Grepafloxacin glucuronide
  • Grepafloxacin 3-glucuronide
  • グレパフロキサシングルクロニド
KEGG COMPOUND： C11597
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