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CHEBI:32133 - Sivelestat sodium hydrate

ChEBI IDCHEBI:32133
ChEBI NameSivelestat sodium hydrate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC20H21N2O7S.4H2O.Na
Net Charge0
Average Mass528.512
Monoisotopic Mass528.13898
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1.O.O.O.O.[Na+]
InChIInChI=1S/C20H22N2O7S.Na.4H2O/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;;;;;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);;4*1H2/q;+1;;;;/p-1
InChIKeyPLHREJBSQUSUCW-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)
Sivelestat sodium hydrate (CHEBI:32133) has functional parent N-benzoylglycine (CHEBI:18089)
Sivelestat sodium hydrate (CHEBI:32133) is a N-acylglycine (CHEBI:16180)
Synonyms  Source
Sivelestat sodium hydrateKEGG COMPOUND
Elaspol (TN)KEGG COMPOUND
Manual XrefsDatabases
D01918KEGG DRUG
Registry NumbersSources
CAS:201677-61-4KEGG COMPOUND