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CHEBI:201436 - Cefditoren Sodium Salt

ChEBI IDCHEBI:201436
ChEBI NameCefditoren Sodium Salt
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FormulaC19H17N6O5S3.Na
Net Charge0
Average Mass528.573
Monoisotopic Mass528.03202
SMILESCON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C=Cc3scnc3C)CSC12)c1csc(N)n1.[Na+]
InChIInChI=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
InChIKeyVFUMWBZIKOREOO-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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