Chem
J-GLOBAL ID：200907050855078829   Nikkaji number：J10.564C

Cephalonium

セファロニウム
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： C20H18N3[N+]O4[O-]S2
Molecular formula furigana： C20-H18-N4-O5-S2
Molecular weight： 458.510
InChI： InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1
InChI key： FMZXNVLFJHCSAF-DNVCBOLYSA-N
SMILES： NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc2cccs2)C3=O)C(=O)[O-])cc1
Systematic name  (3)：
  • (6R,7R)-3-[(4-カルバモイルピリジニオ)メチル]-8-オキソ-7-[2-(2-チエニル)アセチルアミノ]-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
  • 4-カルバモイル-1-{[(6R,7R)-2-カルボキシラト-8-オキソ-7-[2-(チオフェン-2-イル)アセトアミド]-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-3-イル]メチル}ピリジン-1-イウム
  • 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium
Other name (3)：
  • セファロニウム
  • Cephalonium
  • (6R,7R)-3-[(4-Carbamoylpyridinio)methyl]-8-oxo-7-[2-(2-thienyl)acetylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS registry number： 5575-21-3
Regulation number (1)：
  • EINECS2269487
KEGG DRUG： D07634
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