The Drug Ontology

Last uploaded: March 3, 2024
Preferred Name

ceftaroline

Synonyms

(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

PPI 0903M

T 91825

T-91825

Definitions

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.

ID

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

charge

0

database_cross_reference

PMID:16048970

PMID:22398650

PMID:22903952

PMID:22903951

PMID:22903950

PMID:23027193

PMID:22764328

PMID:22311935

PMID:22547933

PMID:22330908

Reaxys:9532372

PMID:23070161

PMID:22294860

PMID:22470115

CAS:189345-04-8

PMID:22467630

PMID:22869564

PMID:22903949

PMID:23023107

PMID:22355258

PMID:22491687

PMID:22796201

PMID:22357801

PMID:22733066

PMID:22354289

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.

formula

C22H20N8O5S4

has role

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

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

has_exact_synonym

(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

has_obo_namespace

chebi_ontology

has_related_synonym

PPI 0903M

T 91825

T-91825

has_RxCUI

1040005

id

CHEBI:70729

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

RGFBRLNVZCCMSV-BIRGHMBHSA-N

label

ceftaroline

mass

604.70500

monoisotopicmass

604.04395

notation

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_23066

http://purl.obolibrary.org/obo/CHEBI_36816

http://purl.obolibrary.org/obo/CHEBI_38099

http://purl.obolibrary.org/obo/CHEBI_38418

http://purl.obolibrary.org/obo/CHEBI_35285

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