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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_9571
http://purl.obolibrary.org/obo/CHEBI_9571
|
|---|---|
| Preferred Name | Thiothixene |
| Synonyms |
cis-Thiothixene
Navane (TN)
thiothixene HCl
thiothixene hydrochloride
Tiotixene
Thiothixene
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
Thiothixene
|
|---|---|
| prefLabel |
Thiothixene
|
| database_cross_reference |
KEGG:D00374
CAS:3313-26-6
Drug_Central:2639
CAS:5591-45-7
HMDB:HMDB0015560
|
| notation |
CHEBI:9571
|
| in_subset | |
| 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-
|
| has_related_synonym |
cis-Thiothixene
Navane (TN)
thiothixene HCl
thiothixene hydrochloride
Tiotixene
|
| id |
CHEBI:9571
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C23H29N3O2S2
|
| subClassOf | |
| inchikey |
GFBKORZTTCHDGY-UWVJOHFNSA-N
|
| mass |
443.628
|
| monoisotopicmass |
443.17012
|
| type | |
| smiles |
CN(C)S(=O)(=O)C1=CC\2=C(SC3=CC=CC=C3/C2=C/CCN4CCN(C)CC4)C=C1
|
| has role | |
| has_exact_synonym |
Thiothixene
|
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