Chem
J-GLOBAL ID:200907021875670082
Nikkaji number:J973.994G
E3040 glucuronide
E-3040グルクロニド
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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:
C22 H25 N3 O7 S
Molecular formula furigana:
C22-H25-N3-O7-S
Molecular weight:
475.520
InChI:
InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1
InChI key:
RJBKVKVYNJTHJS-DQSYDGHTSA-N
SMILES:
CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c(C)c2s1
Systematic name (6):
2-(メチルアミノ)-5,7-ジメチル-4-(3-ピリジニルメチル)ベンゾチアゾール-6-イルβ-D-グルコピラノシドウロン酸
5,7-ジメチル-2-(メチルアミノ)-4-(3-ピリジニルメチル)ベンゾチアゾール-6-イルβ-D-グルコピラノシドウロン酸
2-メチルアミノ-4-(3-ピリジニルメチル)-5,7-ジメチルベンゾチアゾール-6-イルβ-D-グルコピラノシドウロン酸
2-(メチルアミノ)-5,7-ジメチル-4-(3-ピリジルメチル)ベンゾチアゾール-6-イルβ-D-グルコピラノシドウロン酸
(2S,3S,4S,5R,6S)-6-{[5,7-ジメチル-2-(メチルアミノ)-4-[(ピリジン-3-イル)メチル]-1,3-ベンゾチアゾール-6-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-{[5,7-dimethyl-2-(methylamino)-4-[(pyridin-3-yl)methyl]-1,3-benzothiazol-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
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Other name (7):
2-(Methylamino)-5,7-dimethyl-4-(3-pyridinylmethyl)benzothiazole-6-yl β-D-glucopyranosiduronic acid
5,7-Dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)benzothiazole-6-yl β-D-glucopyranosiduronic acid
2-Methylamino-4-(3-pyridinylmethyl)-5,7-dimethylbenzothiazole-6-yl β-D-glucopyranosiduronic acid
E-3040グルクロニド
E-3040 glucuronide
2-(Methylamino)-5,7-dimethyl-4-(3-pyridylmethyl)benzothiazole-6-yl β-D-glucopyranosiduronic acid
E3040 glucuronide
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