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CHEBI:758746 - islatravir hydrate

Default Structure
ChEBI IDCHEBI:758746
ChEBI Nameislatravir hydrate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C12H12FN5O3
Net Charge0
Average Mass311.273
Monoisotopic Mass311.10298
SMILESC#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O.O
InChIInChI=1S/C12H12FN5O3.H2O/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18;/h1,5-7,19-20H,3-4H2,(H2,14,16,17);1H2/t6-,7+,12+;/m0./s1
InChIKeyKRUZUXMDKXRQFG-OLENLRBRSA-N
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
islatravir hydrate (CHEBI:758746) has role antiviral agent (CHEBI:22587)
islatravir hydrate (CHEBI:758746) is a purines (CHEBI:26401)
Synonyms  Source
Islatravir hydrateChEMBL
Islatravir monohydrateChEMBL
MK-8591 MONOHYDRATEChEMBL