Preferred Name |
Thiothixene |
|
Synonyms |
Navane (TN) cis-Thiothixene thiothixene hydrochloride thiothixene HCl Tiotixene Thiothixene |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_9571 |
|
alternative term |
Navane (TN) cis-Thiothixene thiothixene hydrochloride thiothixene HCl Tiotixene Thiothixene |
|
bearer_of | ||
charge |
0 |
|
database_cross_reference |
HMDB:HMDB0015560 Drug_Central:2639 CAS:5591-45-7 KEGG:D00374 CAS:3313-26-6 |
|
formula |
C23H29N3O2S2 |
|
has role | ||
has_exact_synonym |
Thiothixene |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Navane (TN) cis-Thiothixene thiothixene hydrochloride thiothixene HCl Tiotixene |
|
has_RxCUI |
10510 |
|
id |
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- |
|
inchikey |
GFBKORZTTCHDGY-UWVJOHFNSA-N |
|
label |
Thiothixene |
|
mass |
443.628 |
|
monoisotopicmass |
443.17012 |
|
notation |
CHEBI:9571 |
|
prefixIRI |
CHEBI:9571 |
|
prefLabel |
Thiothixene |
|
smiles |
CN(C)S(=O)(=O)C1=CC\2=C(SC3=CC=CC=C3/C2=C/CCN4CCN(C)CC4)C=C1 |
|
subClassOf |
Create mapping