CHEBI:31499 - dimethothiazine mesylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dimethothiazine mesylate
ChEBI ID CHEBI:31499
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C19H25N3O2S2.CH4O3S
C20H29N3O5S3
Net Charge 0
Average Mass 487.660
Monoisotopic Mass 487.12693
InChI InChI=1S/C19H25N3O2S2.CH4O3S/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;1-5(2,3)4/h6-12,14H,13H2,1-5H3;1H3,(H,2,3,4)
InChIKey JGKVKXPDDVRUKC-UHFFFAOYSA-N
SMILES S1C2=C(N(CC(C)N(C)C)C3=C1C=CC=C3)C=C(C=C2)S(N(C)C)(=O)=O.S(=O)(=O)(C)O
ChEBI Ontology
Outgoing dimethothiazine mesylate (CHEBI:31499) is a methanesulfonate salt (CHEBI:38037)
dimethothiazine mesylate (CHEBI:31499) is a phenothiazines (CHEBI:38093)
dimethothiazine mesylate (CHEBI:31499) is a sulfonamide (CHEBI:35358)
Synonyms Sources
Dimethothiazine mesylate KEGG COMPOUND
Dimetotiazine mesylate ChEBI
Fonazine mesylate KEGG COMPOUND
Manual Xref Database
D01902 KEGG DRUG
View more database links
Registry Number Type Source
13115-40-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017