Cefamandole

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Systematic / IUPAC Name: (6R,7R)-7-{[(2R)-2-Hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ID: Reference1799

Other Names: Cefadole;
Cephadole;
Cephamandole;
L-Cefamandole;
(6R,7R)-7-(R)-Mandelamido-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-carboxylic acid ; more

Formula: C18H18N6O5S2

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 210
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/31/2020 2:18:57 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
InChI Key OLVCFLKTBJRLHI-AXAPSJFSSA-N
Canonical SMILES CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O
CAS
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Other Names Cefadole;
Cephadole;
Cephamandole;
L-Cefamandole;
(6R,7R)-7-(R)-Mandelamido-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-carboxylic acid ;
(6R,7R)-7-[(2R)-2-Hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
(6R,7R)-7-{[(2R)-2-Hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-{[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-, 6R,7R)- ;
7β-[(2R)-2-Hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid

In Other Databases

PubChem 456255
ChEBI CHEBI:3480
Wikipedia Cefamandole
HMDb HMDB15421
ChemSpider 401748
ChEMBL CHEMBL1146
KEGG C06879; C13968; D02191; D02344