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CHEBI:755404 - dasabuvir sodium monohydrate

Default Structure
ChEBI IDCHEBI:755404
ChEBI Namedasabuvir sodium monohydrate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C26H26N3O5S.Na
Net Charge0
Average Mass533.582
Monoisotopic Mass533.15965
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[n-]c2=O)cc1C(C)(C)C.O.[Na+]
InChIInChI=1S/C26H27N3O5S.Na.H2O/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;;/h6-15,28H,1-5H3,(H,27,30,31);;1H2/q;+1;/p-1
InChIKeySJHKKWUESHNTBB-UHFFFAOYSA-M
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
dasabuvir sodium monohydrate (CHEBI:755404) has role antiviral agent (CHEBI:22587)
dasabuvir sodium monohydrate (CHEBI:755404) is a benzenes (CHEBI:22712)
dasabuvir sodium monohydrate (CHEBI:755404) is a naphthalenes (CHEBI:25477)
dasabuvir sodium monohydrate (CHEBI:755404) is a ring assembly (CHEBI:36820)