The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

ceftaroline

Synonyms

T 91825

T-91825

PPI 0903M

(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-3-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C22H20N8O5S4

ID

http://purl.obolibrary.org/obo/CHEBI_70729

Definition

A cephalosporin that is the active metabolite of the prodrug ceftaroline fosamil. Used for the treatment of adults with acute bacterial skin and skin structure infections.

has role

http://purl.obolibrary.org/obo/CHEBI_22582

http://purl.obolibrary.org/obo/CHEBI_49103

http://purl.obolibrary.org/obo/CHEBI_36047

InChI

InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1

InChIKey

InChIKey=RGFBRLNVZCCMSV-BIRGHMBHSA-N

label

ceftaroline

prefixIRI

obo2:CHEBI_70729

prefLabel

ceftaroline

SMILES

[H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\\c1nsc(N)n1)C([O-])=O

Synonym

T 91825

T-91825

PPI 0903M

(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-3-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C22H20N8O5S4

xref

CiteXplore:22869564

CiteXplore:23070161

CiteXplore:22311935

CiteXplore:22470115

CiteXplore:22467630

CiteXplore:22796201

CiteXplore:22354289

CASRN:189345-04-8

CiteXplore:22355258

CiteXplore:22398650

CiteXplore:22491687

CiteXplore:22903950

CiteXplore:22294860

Reaxys:9532372

CiteXplore:23023107

CiteXplore:22903952

CiteXplore:16048970

CiteXplore:22733066

CiteXplore:22357801

CiteXplore:23027193

CiteXplore:22330908

CiteXplore:22903951

CiteXplore:22547933

CiteXplore:22903949

CiteXplore:22764328

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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