CHEBI:31424 - Clotiapine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Clotiapine
ChEBI ID CHEBI:31424
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:108591
Supplier Information
Download Molfile XML SDF
Formulae C18H18ClN3S
C18H18ClN3S
Net Charge 0
Average Mass 343.875
Monoisotopic Mass 343.09100
InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChIKey KAAZGXDPUNNEFN-UHFFFAOYSA-N
SMILES CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl
ChEBI Ontology
Outgoing Clotiapine (CHEBI:31424) is a dibenzothiazepine (CHEBI:39268)
Synonyms Sources
clothiapin DrugCentral
clothiapine DrugCentral
Clothiapine KEGG COMPOUND
Clotiapine KEGG COMPOUND
entumine DrugCentral
Manual Xrefs Databases
717 DrugCentral
D01597 KEGG DRUG
LSM-19970 LINCS
View more database links
Registry Number Type Source
2058-52-8 CAS Registry Number DrugCentral
Last Modified
06 March 2017