Ceftiofur

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Systematic / IUPAC Name: (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ID: Reference1585

Other Names: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R,7R)-;
Excenel

Formula: C19H17N5O7S3

Class: Pesticides/Herbicides

Spectral Data

Ceftiofur mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 254
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/2/2014 1:03:24 PM
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Identificators

InChI InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1
InChI Key ZBHXIWJRIFEVQY-IHMPYVIRSA-N
Canonical SMILES CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O
CAS 80370576
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Other Names 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R,7R)-;
Excenel

In Other Databases

ChEMBL CHEMBL222913
ChemSpider 4865990
ChemIDPlus 080370576; 103980445
PubChem 6328657
KEGG D07657
Wikipedia Ceftiofur