CHEBI:82698 - suvorexant

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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
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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.
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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
Brand Name Source
BELSOMRA ChEBI
Manual Xrefs Databases
4881 DrugCentral
D10082 KEGG DRUG
Suvorexant Wikipedia
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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
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Last Modified
22 February 2017