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CHEBI:9571 - Thiothixene

ChEBI IDCHEBI:9571
ChEBI NameThiothixene
Stars
Last Modified23 April 2020
DownloadsMolfile
FormulaC23H29N3O2S2
Net Charge0
Average Mass443.638
Monoisotopic Mass443.17012
SMILESCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
InChIInChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
InChIKeyGFBKORZTTCHDGY-UWVJOHFNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
Thiothixene (CHEBI:9571) has role anticoronaviral agent (CHEBI:149553)
Thiothixene (CHEBI:9571) is a N-methylpiperazine (CHEBI:46920)
Synonyms  Source
ThiothixeneKEGG COMPOUND
TiotixeneKEGG COMPOUND
Navane (TN)KEGG COMPOUND
thiothixene HClDrugCentral
thiothixene hydrochlorideDrugCentral
cis-ThiothixeneDrugCentral
Manual XrefsDatabases
D00374KEGG DRUG
2639DrugCentral
HMDB0015560HMDB
Registry NumbersSources
CAS:5591-45-7KEGG COMPOUND
CAS:3313-26-6DrugCentral