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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:32133 - Sivelestat sodium hydrate
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ChEBI Ontology
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ChEBI Name
Sivelestat sodium hydrate
ChEBI ID
CHEBI:32133
Stars
This entity has been manually annotated by a third party.
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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
View more database links
Registry Number
Type
Source
201677-61-4
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017