Chem
J-GLOBAL ID:200907051691838440   Nikkaji number:J1.750.566A

3-[3-Oxo-3-(hydroxyamino)-1-propenyl]-4-(sodiooxycarbonyl)-7-(2-pyridinylmethylene)cepham-3-ene 1,1-dioxide

3-[3-オキソ-3-(ヒドロキシアミノ)-1-プロペニル]-4-(ソジオオキシカルボニル)-7-(2-ピリジニルメチレン)セファム-3-エン1,1-ジオキシド
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: C16H12N3NaO5[O-]2[S+2]
Molecular formula furigana: C16-H12-N3-NA-O7-S
Molecular weight: 413.340
InChI: InChI=1S/C16H13N3O7S.Na/c20-12(18-24)5-4-9-8-27(25,26)15-11(7-10-3-1-2-6-17-10)14(21)19(15)13(9)16(22)23;/h1-7,15,24H,8H2,(H,18,20)(H,22,23);/q;+1/p-1/t15-;/m1./s1
InChI key: KCQWZWSGILMGEQ-XFULWGLBSA-M
SMILES: ONC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)[S+2]([O-])([O-])C1)C(=O)O[Na]
Systematic name  (3):
  • 3-[3-オキソ-3-(ヒドロキシアミノ)-1-プロペニル]-4-(ソジオオキシカルボニル)-7-(2-ピリジニルメチレン)セファム-3-エン1,1-ジオキシド
  • (6R)-3-[2-(ヒドロキシカルバモイル)エタ-1-エン-1-イル]-8-オキソ-7-[(ピリジン-2-イル)メチリデン]-2-[(ソジオオキシ)カルボニル]-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-5,5-ジイウム-5,5-ビス(オラート)
  • (6R)-3-[2-(hydroxycarbamoyl)eth-1-en-1-yl]-8-oxo-7-[(pyridin-2-yl)methylidene]-2-[(sodiooxy)carbonyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-5,5-diium-5,5-bis(olate)
Other name (1):
  • 3-[3-Oxo-3-(hydroxyamino)-1-propenyl]-4-(sodiooxycarbonyl)-7-(2-pyridinylmethylene)cepham-3-ene 1,1-dioxide
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