Chem
J-GLOBAL ID:200907051047326110   Nikkaji number:J1.022.823I

3-[2-[3-[(Dimethylcarbamoyl)methyl]-5-isoxazolyl]ethenyl]-7-[[methoxyimino(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid sodium salt

3-[2-[3-[(ジメチルカルバモイル)メチル]-5-イソオキサゾリル]エテニル]-7-[[メトキシイミノ(2-アミノ-4-チアゾリル)アセチル]アミノ]-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸ナトリウム
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: C22H22N7NaO7S2
Molecular formula furigana: C22-H22-N7-NA-O7-S2
Molecular weight: 583.570
InChI: InChI=1S/C22H23N7O7S2.Na/c1-28(2)14(30)7-11-6-12(36-26-11)5-4-10-8-37-20-16(19(32)29(20)17(10)21(33)34)25-18(31)15(27-35-3)13-9-38-22(23)24-13;/h4-6,9,16,20H,7-8H2,1-3H3,(H2,23,24)(H,25,31)(H,33,34);/q;+1/p-1
InChI key: LWGBEMCECNEJHL-UHFFFAOYSA-M
SMILES: CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O[Na])C=Cc1cc(CC(=O)N(C)C)no1)c1csc(N)n1
Systematic name  (3):
  • 3-[2-[3-[(ジメチルカルバモイル)メチル]-5-イソオキサゾリル]エテニル]-7-[[メトキシイミノ(2-アミノ-4-チアゾリル)アセチル]アミノ]-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸ナトリウム
  • ナトリウム 7-[2-(2-アミノ-1,3-チアゾール-4-イル)-2-(メトキシイミノ)アセトアミド]-3-(2-{3-[(ジメチルカルバモイル)メチル]-1,2-オキサゾール-5-イル}エテニル)-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボキシラート
  • sodium 7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(2-{3-[(dimethylcarbamoyl)methyl]-1,2-oxazol-5-yl}ethenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Other name (1):
  • 3-[2-[3-[(Dimethylcarbamoyl)methyl]-5-isoxazolyl]ethenyl]-7-[[methoxyimino(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid sodium salt
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