CHEBI:201436 - Cefditoren Sodium Salt

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ChEBI Name Cefditoren Sodium Salt
ChEBI ID CHEBI:201436
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H17N6O5S3.Na
Net Charge 0
Average Mass 528.550
Monoisotopic Mass 528.03203
InChI InChI=1S/C19H18N6O5S3.Na/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10;/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29);/q;+1/p-1
InChIKey VFUMWBZIKOREOO-UHFFFAOYSA-M
SMILES S1C2N(C(C(=O)[O-])=C(C1)C=CC=3SC=NC3C)C(=O)C2NC(=O)C(=NOC)C=4N=C(N)SC4.[Na+]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cefditoren Sodium Salt (CHEBI:201436) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
sodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Manual Xref Database
88297286 ChemSpider
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