Cefalonium

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Systematic / IUPAC Name: (6R,7R)-3-[(4-Carbamoyl-1-pyridiniumyl)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

ID: Reference2730

Other Names: Cefalonum;
Cephalonium;
(6R,7R)-3-[4-(4-Carbamoyl-1-pyridiniomethyl)]-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat ;
7-(α-Thienylacetamido)-3-(4-carbamoylpyridinomethyl)-3-cephem-4-carboxylic acid

Formula: C20H19N4O5S2 +

Class: Therapeutics/Prescription Drugs

Spectral Data

Cefalonium 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 2
No. of Spectra 161
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2016 8:49:35 AM
View Mass Spec Data > >

Identificators

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
Canonical SMILES C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N
CAS 5575213
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Other Names Cefalonum;
Cephalonium;
(6R,7R)-3-[4-(4-Carbamoyl-1-pyridiniomethyl)]-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat ;
7-(α-Thienylacetamido)-3-(4-carbamoylpyridinomethyl)-3-cephem-4-carboxylic acid

In Other Databases

KEGG D07634
ChemSpider 20438
ChEMBL CHEMBL2105567
PubChem 21743
Wikipedia Cefalonium