loading...| Preferred Name | cefalotin | |
| Synonyms |
CET CEPHALOTHIN 7-(2-Thienylacetamido)cephalosporanic acid cefalotine 7-(2'-thienylacetamido)cephalosporanic acid Cefalothin Cephalotin cefalotinum cefalotina cefalotin 7-(Thiophene-2-acetamido)cephalosporin Cephalothin 3-Acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid Cefalotin 7beta-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(thiophen-2-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|
| Definitions |
A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_124991 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:945586 DrugBank:DB00456 PMID:13963283 HMDB:HMDB0014599 PMID:12833570 PDBeChem:CLS PMID:1384868 LINCS:LSM-15184 KEGG:D07635 Drug_Central:574 Wikipedia:Cephalothin PMID:1701026 CAS:153-61-7 KEGG:C07761 PMID:23680238 PMID:10930630 PMID:2083978 PMID:12569987 PMID:23472927 PMID:29017833 Patent:FR1384197 PMID:6176550 Beilstein:945586 Patent:US3218318 |
|
| definition |
A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections. |
|
| formula |
C16H16N2O6S2 |
|
| has role | ||
| has_alternative_id |
CHEBI:50895 CHEBI:41547 |
|
| has_exact_synonym |
Cefalotin 7beta-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(thiophen-2-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
CET CEPHALOTHIN 7-(2-Thienylacetamido)cephalosporanic acid cefalotine 7-(2'-thienylacetamido)cephalosporanic acid Cefalothin Cephalotin cefalotinum cefalotina cefalotin 7-(Thiophene-2-acetamido)cephalosporin Cephalothin 3-Acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid |
|
| id |
CHEBI:124991 |
|
| in_subset | ||
| inchi |
InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1 |
|
| inchikey |
XIURVHNZVLADCM-IUODEOHRSA-N |
|
| is conjugate acid of | ||
| label |
cefalotin |
|
| mass |
396.43800 |
|
| monoisotopicmass |
396.04498 |
|
| notation |
CHEBI:124991 |
|
| prefLabel |
cefalotin |
|
| smiles |
[H][C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(O)=O)=C(COC(C)=O)CS[C@]12[H] |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_23066 http://purl.obolibrary.org/obo/CHEBI_26961 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_33575 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_23066 http://purl.obolibrary.org/obo/CHEBI_26961 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_33575 |