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CHEBI:3509 - ceftazidime pentahydrate

ChEBI IDCHEBI:3509
ChEBI Nameceftazidime pentahydrate
Stars
DefinitionA hydrate that is the pentahydrate of ceftazidime, a cephalosporin having 7β-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side-groups.
Last Modified10 June 2015
DownloadsMolfile
FormulaC22H22N6O7S2.5H2O
Net Charge0
Average Mass636.662
Monoisotopic Mass636.15196
SMILESO.O.O.O.O.[H][C@]12SCC(C[n+]3ccccc3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC(C)(C)C(=O)O)c1csc(N)n1
InChIInChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);5*1H2/b26-13-;;;;;/t14-,18-;;;;;/m1...../s1
InChIKeyNMVPEQXCMGEDNH-TZVUEUGBSA-N
ChEBI Ontology
Outgoing Relation(s)
ceftazidime pentahydrate (CHEBI:3509) has part ceftazidime (CHEBI:3508)
ceftazidime pentahydrate (CHEBI:3509) is a hydrate (CHEBI:35505)
Incoming Relation(s)
Avycaz (CHEBI:85989) has part ceftazidime pentahydrate (CHEBI:3509)
IUPAC Name 
7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate—water (1/5)
Synonyms  Source
Ceftazidime hydrateKEGG DRUG
CeftazidimeKEGG DRUG
CAZChemIDplus
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrateIUPAC
Manual XrefsDatabases
D00921KEGG DRUG
DB00438DrugBank
DE3037102Patent
US4329453Patent
Registry NumbersSources
Reaxys:6561390Reaxys
CAS:78439-06-2KEGG DRUG
CAS:78439-06-2DrugBank
CAS:78439-06-2ChemIDplus