CHEBI:32133 - Sivelestat sodium hydrate

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ChEBI Name Sivelestat sodium hydrate
ChEBI ID CHEBI:32133
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C20H21N2O7S.4H2O.Na
C20H29N2NaO11S
Net Charge 0
Average Mass 528.508
Monoisotopic Mass 528.13898
InChI InChI=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
InChIKey PLHREJBSQUSUCW-UHFFFAOYSA-M
SMILES [Na+].C=1(S(NC=2C=CC=CC2C(=O)NCC([O-])=O)(=O)=O)C=CC(OC(C(C)(C)C)=O)=CC1.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 )
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ChEBI Ontology
Outgoing Sivelestat sodium hydrate (CHEBI:32133) has functional parent N-benzoylglycine (CHEBI:18089)
Sivelestat sodium hydrate (CHEBI:32133) is a N-acylglycine (CHEBI:16180)
Synonyms Sources
Elaspol (TN) KEGG COMPOUND
Sivelestat sodium hydrate KEGG COMPOUND
Manual Xref Database
D01918 KEGG DRUG
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Registry Number Type Source
201677-61-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017