Chem
J-GLOBAL ID：200907041296675669   Nikkaji number：J22.195C

FCE-22101

FCE-22101
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： C10H11N2NaO6S
Molecular formula furigana： C10-H11-N2-NA-O6-S
Molecular weight： 310.260
InChI： InChI=1S/C10H12N2O6S.Na/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17;/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16);/q;+1/p-1/t3-,5+,8-;/m1./s1
InChI key： FPLQVCOCYJJHBC-HIQLJADVSA-M
SMILES： C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(=O)O[Na])COC(=O)N
Systematic name  (3)：
  • (5R)-3-[[(アミノカルボニル)オキシ]メチル]-6β-[(R)-1-ヒドロキシエチル]-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸ナトリウム
  • ナトリウム (5R,6S)-3-[(カルバモイルオキシ)メチル]-6-[(1R)-1-ヒドロキシエチル]-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボキシラート
  • sodium (5R,6S)-3-[(carbamoyloxy)methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Other name (2)：
  • FCE-22101
  • (5R)-3-[[(Aminocarbonyl)oxy]methyl]-6β-[(R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt
CAS registry number： 84845-58-9
Application (1)：
penicillin cephalosporins
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