Chem
J-GLOBAL ID：200907097195526072
Nikkaji number：J1.086.823H
Furosemide acyl glucuronide
フロセミドアシルグルクロニド
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
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
Molecular formula： C18H19ClN2O11S
Molecular formula furigana： C18-H19-CL-N2-O11-S
Molecular weight： 506.860
InChI：
InChI=1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)/t12-,13-,14+,15-,18-/m0/s1
InChI key：
RNVHHPUYELVHRE-GLRLOKQVSA-N
SMILES：
NS(=O)(=O)c1cc(C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c(NCc2ccco2)cc1Cl
Systematic name (4)：
- 4-クロロ-2-[(2-フラニルメチル)アミノ]-5-スルファモイルベンゾイルβ-D-グルコピラノシドウロン酸
- 2-(2-フリルメチルアミノ)-4-クロロ-5-スルファモイル安息香酸β-D-グルコピラヌロノシル
- (2S,3S,4S,5R,6S)-6-(4-クロロ-2-{[(フラン-2-イル)メチル]アミノ}-5-スルファモイルベンゾイルオキシ)-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-(4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
- 4-Chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoyl β-D-glucopyranosiduronic acid
- Furosemide acyl glucuronide
- フロセミドアシルグルクロニド
- 2-(2-Furylmethylamino)-4-chloro-5-sulfamoylbenzoic acid β-D-glucopyranuronosyl ester
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