CHEBI:201820 - Ceftriaxone sodium hydrate (2:4:7)

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ChEBI Name Ceftriaxone sodium hydrate (2:4:7)
ChEBI ID CHEBI:201820
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H16N8O7S3.C18H16N8O7S3.H2O.H2O.H2O.H2O.H2O.H2O.H2O.Na.Na.Na.Na
Net Charge 0
Average Mass 1323.170
Monoisotopic Mass 1322.09385
InChI InChI=1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4
InChIKey KTAVBOYXMBQFGR-UHFFFAOYSA-J
SMILES S1C2N(C(C(=O)[O-])=C(C1)CSC3=NC(=O)C([O-])=NN3C)C(=O)C2NC(=O)C(=NOC)C=4N=C(N)SC4.S1C2N(C(C(=O)[O-])=C(C1)CSC3=NC(=O)C([O-])=NN3C)C(=O)C2NC(=O)C(=NOC)C=4N=C(N)SC4.[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ceftriaxone sodium hydrate (2:4:7) (CHEBI:201820) is a cephalosporin (CHEBI:23066)
IUPAC Name
tetrasodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;heptahydrate
Manual Xrefs Databases
38772421 ChemSpider
D00924 KEGG DRUG
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