CHEBI:9571 - Thiothixene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thiothixene
ChEBI ID CHEBI:9571
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C23H29N3O2S2
C23H29N3O2S2
Net Charge 0
Average Mass 443.628
Monoisotopic Mass 443.17012
InChI InChI=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-
InChIKey GFBKORZTTCHDGY-UWVJOHFNSA-N
SMILES CN(C)S(=O)(=O)C1=CC\2=C(SC3=CC=CC=C3/C2=C/CCN4CCN(C)CC4)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Thiothixene (CHEBI:9571) has role anticoronaviral agent (CHEBI:149553)
Thiothixene (CHEBI:9571) is a N-methylpiperazine (CHEBI:46920)
Synonyms Sources
cis-Thiothixene DrugCentral
Navane (TN) KEGG COMPOUND
Thiothixene KEGG COMPOUND
thiothixene HCl DrugCentral
thiothixene hydrochloride DrugCentral
Tiotixene KEGG COMPOUND
Manual Xrefs Databases
2639 DrugCentral
D00374 KEGG DRUG
HMDB0015560 HMDB
View more database links
Registry Numbers Types Sources
3313-26-6 CAS Registry Number DrugCentral
5591-45-7 CAS Registry Number KEGG COMPOUND
Last Modified
23 April 2020