CHEBI:135736 - sitaxentan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sitaxentan
ChEBI ID CHEBI:135736
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H15ClN2O6S2
Net Charge 0
Average Mass 454.907
Monoisotopic Mass 454.00601
InChI InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3
InChIKey PHWXUGHIIBDVKD-UHFFFAOYSA-N
SMILES C(CC1=CC2=C(C=C1C)OCO2)(=O)C3=C(S(NC4=C(Cl)C(=NO4)C)(=O)=O)C=CS3
ChEBI Ontology
Outgoing sitaxentan (CHEBI:135736) is a benzodioxoles (CHEBI:38298)
Synonyms Sources
sitaxentan sodium DrugCentral
sitaxsentan DrugCentral
TBC-11251 DrugCentral
TBC11251 DrugCentral
thelin DrugCentral
Manual Xrefs Databases
3548 DrugCentral
HMDB0015629 HMDB
View more database links
Registry Number Type Source
210421-74-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017