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ChEBI
> Main
CHEBI:9537 - Thiamylal sodium
Main
ChEBI Ontology
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ChEBI Name
Thiamylal sodium
ChEBI ID
CHEBI:9537
Stars
This entity has been manually annotated by a third party.
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Formulae
C12H17N2NaO2S
C12H17N2O2S.Na
Net Charge
0
Average Mass
276.332
Monoisotopic Mass
276.09084
InChI
InChI=1S/C12H18N2O2S.Na/c1-
4-
6-
8(3)
12(7-
5-
2)
9(15)
13-
11(17)
14-
10(12)
16;/h5,8H,2,4,6-
7H2,1,3H3,(H2,13,14,15,16,17)
;/q;+1/p-
1
InChIKey
LYZGJWXNOGIVQA-UHFFFAOYSA-M
SMILES
C1(C(NC([S-])=NC1=O)=O)(C(CCC)C)CC=C.[Na+]
ChEBI Ontology
Outgoing
Thiamylal sodium (
CHEBI:9537
)
is a
pyrimidone (
CHEBI:38337
)
Synonyms
Sources
Surital
KEGG COMPOUND
Thiamylal sodium
KEGG COMPOUND
Manual Xref
Database
D00713
KEGG DRUG
View more database links
Registry Number
Type
Source
337-47-3
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017