CHEBI:82698 - suvorexant

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name suvorexant
ChEBI ID CHEBI:82698
Definition An aromatic amide obtained by formal condensation of the carboxy group of 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid with the secondary amino group of 5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole. An orexin receptor antagonist used for the management of insomnia.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Toni Morrison
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C23H23ClN6O2
Net Charge 0
Average Mass 450.92100
Monoisotopic Mass 450.15710
InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
InChIKey JYTNQNCOQXFQPK-MRXNPFEDSA-N
SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1
Roles Classification
Biological Role(s): orexin receptor antagonist
An antagonist that binds to and deactivates orexin receptors.
Application(s): central nervous system depressant
A loosely defined group of drugs that tend to reduce the activity of the central nervous system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing suvorexant (CHEBI:82698) has role central nervous system depressant (CHEBI:35488)
suvorexant (CHEBI:82698) has role orexin receptor antagonist (CHEBI:83296)
suvorexant (CHEBI:82698) is a 1,3-benzoxazoles (CHEBI:51548)
suvorexant (CHEBI:82698) is a aromatic amide (CHEBI:62733)
suvorexant (CHEBI:82698) is a diazepine (CHEBI:47918)
suvorexant (CHEBI:82698) is a organochlorine compound (CHEBI:36683)
suvorexant (CHEBI:82698) is a triazoles (CHEBI:35727)
IUPAC Name
[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
Synonyms Sources
MK 4305 ChemIDplus
MK-4305 KEGG DRUG
MK4305 ChemIDplus
suvorexant UniProt
Brand Name Source
BELSOMRA ChEBI
Manual Xrefs Databases
4881 DrugCentral
D10082 KEGG DRUG
Suvorexant Wikipedia
View more database links
Registry Numbers Types Sources
1030377-33-3 CAS Registry Number ChemIDplus
1030377-33-3 CAS Registry Number KEGG DRUG
18339082 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23372274 PubMed citation Europe PMC
23692283 PubMed citation Europe PMC
24368893 PubMed citation Europe PMC
24488306 PubMed citation Europe PMC
24550770 PubMed citation Europe PMC
24680372 PubMed citation Europe PMC
24757363 PubMed citation Europe PMC
25167596 PubMed citation Europe PMC
25197807 PubMed citation Europe PMC
25227290 PubMed citation Europe PMC
25231363 PubMed citation Europe PMC
25291725 PubMed citation Europe PMC
25299902 PubMed citation Europe PMC
Last Modified
07 December 2021