loading...| Preferred Name |
cefamandole |
|
| Synonyms |
7beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid L-Cefamandole cefamandolum (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 (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 Cefadole cefamandol Cephadole cefamandole Cephamandole |
|
| Definitions |
A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3480 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:15828189 PMID:12833570 Patent:DE2312997 Beilstein:5406309 KEGG:C06879 DrugBank:DB01326 Wikipedia:Cefamandole Patent:US3840531 Patent:US3641021 KEGG:D02344 PMID:12569987 PMID:29017833 Patent:DE2018600 Drug_Central:527 CAS:34444-01-4 |
|
| definition |
A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups. |
|
| formula |
C18H18N6O5S2 |
|
| has role | ||
| has_exact_synonym |
7beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
L-Cefamandole cefamandolum (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 (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 Cefadole cefamandol Cephadole cefamandole Cephamandole |
|
| id |
CHEBI:3480 |
|
| in_subset | ||
| 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 |
|
| inchikey |
OLVCFLKTBJRLHI-AXAPSJFSSA-N |
|
| is conjugate acid of | ||
| label |
cefamandole |
|
| mass |
462.50300 |
|
| monoisotopicmass |
462.07801 |
|
| notation |
CHEBI:3480 |
|
| prefLabel |
cefamandole |
|
| smiles |
[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C(O)=O |
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| treeView | ||
| subClassOf |