Chem
J-GLOBAL ID：200907044417734772   Nikkaji number：J2.399.601D

Ceftiolene

セフチオレン
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： C20H18N8O8S3
Molecular formula furigana： C20-H18-N8-O8-S3
Molecular weight： 594.590
InChI： InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1
InChI key： WJXAHFZIHLTPFR-JLRJEBFFSA-N
SMILES： CO/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)/C=C/Sc1n[nH]c(=O)c(=O)n1CC=O)/c1csc(N)n1
Systematic name  (3)：
  • (6R,7R)-7-[[(2Z)-(2-アミノ-4-チアゾリル)(メトキシイミノ)アセチル]アミノ]-8-オキソ-3-[(1E)-2-[[1,4,5,6-テトラヒドロ-5,6-ジオキソ-4-(2-オキソエチル)-1,2,4-トリアジン-3-イル]チオ]エテニル]-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
  • (6R,7R)-7-[(2Z)-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-[(1E)-2-{[5,6-ジオキソ-4-(2-オキソエチル)-1,4,5,6-テトラヒドロ-1,2,4-トリアジン-3-イル]スルファニル}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-カルボン酸
  • (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1E)-2-{[5,6-dioxo-4-(2-oxoethyl)-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl]sulfanyl}ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (3)：
  • (6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(1E)-2-[[1,4,5,6-tetrahydro-5,6-dioxo-4-(2-oxoethyl)-1,2,4-triazine-3-yl]thio]ethenyl]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
  • セフチオレン
  • Ceftiolene
CAS registry number： 77360-52-2
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