Chem
J-GLOBAL ID:200907031497940322
Nikkaji number:J14.688I
Cefazaflur
セファザフルール
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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:
C13 H13 F3 N6 O4 S3
Molecular formula furigana:
C13-H13-F3-N6-O4-S3
Molecular weight:
470.460
InChI:
InChI=1S/C13H13F3N6O4S3/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26)/t7-,10-/m1/s1
InChI key:
HGXLJRWXCXSEJO-GMSGAONNSA-N
SMILES:
Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC(F)(F)F)C2=O)C(=O)O
Systematic name (3):
(6R,7R)-3-[[(1-メチル-1H-テトラゾール-5-イル)チオ]メチル]-8-オキソ-7-[[[(トリフルオロメチル)チオ]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-カルボン酸
(6R,7R)-3-{[(1-メチル-1H-1,2,3,4-テトラゾール-5-イル)スルファニル]メチル}-8-オキソ-7-{2-[(トリフルオロメチル)スルファニル]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-2-カルボン酸
(6R,7R)-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-{2-[(trifluoromethyl)sulfanyl]acetamido}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (3):
セファザフルール
Cefazaflur
(6R,7R)-3-[[(1-Methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[[[(trifluoromethyl)thio]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS registry number:
58665-96-6
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