cefozopran (CHEBI:3502)

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CHEBI:3502 - cefozopran

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ChEBI ID	CHEBI:3502
ChEBI Name	cefozopran
Stars
Definition	A fourth-generation cephalosporin antibiotic having imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.
Last Modified	7 March 2018
Downloads	Molfile

Formula	C19H17N9O5S2
Net Charge	0
Average Mass	515.537
Monoisotopic Mass	515.07941
SMILES	[H][C@]12SCC(C[n+]3ccn4ncccc43)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1nsc(N)n1
InChI	InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1
InChIKey	QDUIJCOKQCCXQY-WHJQOFBOSA-N

Wikipedia

Roles Classification

Biological Roles:	drug allergen Any drug which causes the onset of an allergic reaction. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:	drug allergen Any drug which causes the onset of an allergic reaction.

ChEBI Ontology

Outgoing Relation(s)
	cefozopran (CHEBI:3502) is a cephalosporin (CHEBI:23066)
	cefozopran (CHEBI:3502) is a imidazopyridazine (CHEBI:48382)
	cefozopran (CHEBI:3502) is a thiadiazoles (CHEBI:38099)

IUPAC Name
7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate

INNs	Source
cefozopran	ChemIDplus
cefozoprán	WHO MedNet
céfozopran	WHO MedNet
cefozopranum	WHO MedNet

Synonym	Source
(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	IUPAC

Manual Xrefs	Databases
D01052	KEGG DRUG
Cefozopran	Wikipedia
8398449	Wikipedia
WO2010089729	Patent
CN1847247	Patent

Registry Numbers	Sources
CAS:113359-04-9	KEGG COMPOUND

Citations