CHEBI:201454 - Cefminox sodium heptahydrate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cefminox sodium heptahydrate
ChEBI ID CHEBI:201454
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20N7O7S3.H2O.H2O.H2O.H2O.H2O.H2O.H2O.Na
Net Charge 0
Average Mass 667.650
Monoisotopic Mass 667.12236
InChI InChI=1S/C16H21N7O7S3.Na.7H2O/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26;;;;;;;;/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28);;7*1H2/q;+1;;;;;;;/p-1
InChIKey QCIJKKRQPRMHOX-UHFFFAOYSA-M
SMILES S1C2N(C(C(=O)[O-])=C(C1)CSC3=NN=NN3C)C(=O)C2(OC)NC(=O)CSCC(N)C(=O)O.[Na+].O.O.O.O.O.O.O
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 Cefminox sodium heptahydrate (CHEBI:201454) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
sodium;(6R,7S)-7-[[2-[(2S)-2-amino-2-carboxyethyl]sulanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;heptahydrate
Manual Xref Database
24021326 ChemSpider
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