CHEBI:32218 - Thioproperazine mesilate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thioproperazine mesilate
ChEBI ID CHEBI:32218
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H30N4O2S2.2CH4O3S
C24H38N4O8S4
Net Charge 0
Average Mass 638.846
Monoisotopic Mass 638.15725
InChI InChI=1S/C22H30N4O2S2.2CH4O3S/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;2*1-5(2,3)4/h4-5,7-10,17H,6,11-16H2,1-3H3;2*1H3,(H,2,3,4)
InChIKey QPMDKXBBAVQDCB-UHFFFAOYSA-N
SMILES S1C2=C(N(C=3C=C(C=CC13)S(N(C)C)(=O)=O)CCCN4CCN(CC4)C)C=CC=C2.S(=O)(=O)(C)O.S(=O)(=O)(C)O
ChEBI Ontology
Outgoing Thioproperazine mesilate (CHEBI:32218) is a phenothiazines (CHEBI:38093)
Synonym Source
Thioproperazine mesilate KEGG COMPOUND
Manual Xref Database
D01447 KEGG DRUG
View more database links
Registry Number Type Source
2347-80-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017