CHEBI:3509 - ceftazidime pentahydrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ceftazidime pentahydrate
ChEBI ID CHEBI:3509
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H32N6O12S2
Net Charge 0
Average Mass 636.65200
Monoisotopic Mass 636.152
InChI InChI=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
InChIKey NMVPEQXCMGEDNH-TZVUEUGBSA-N
SMILES O.O.O.O.O.[H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C([O-])=O
ChEBI Ontology
Outgoing ceftazidime pentahydrate (CHEBI:3509) has part ceftazidime (CHEBI:3508)
ceftazidime pentahydrate (CHEBI:3509) is a hydrate (CHEBI:35505)
Incoming 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 Sources
(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 pentahydrate IUPAC
CAZ ChemIDplus
Ceftazidime KEGG DRUG
Ceftazidime hydrate KEGG DRUG
Manual Xrefs Databases
D00921 KEGG DRUG
DB00438 DrugBank
DE3037102 Patent
US4329453 Patent
View more database links
Registry Numbers Types Sources
6561390 Reaxys Registry Number Reaxys
6561390 Beilstein Registry Number Beilstein
78439-06-2 CAS Registry Number ChemIDplus
78439-06-2 CAS Registry Number KEGG DRUG
78439-06-2 CAS Registry Number DrugBank
Last Modified
10 June 2015