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CHEBI:749719 - doxycycline hydrochloride

Default Structure
ChEBI IDCHEBI:749719
ChEBI Namedoxycycline hydrochloride
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC22H24N2O8.HCl
Net Charge0
Average Mass480.901
Monoisotopic Mass480.12994
SMILESCl.[H][C@@]12C(=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]3([H])[C@H]1O)C(=O)c1c(O)cccc1[C@@H]2C
InChIInChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
InChIKeyRUYHIJHUVHIMIR-CVHRZJFOSA-N
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
doxycycline hydrochloride (CHEBI:749719) has role antiinfective agent (CHEBI:35441)
doxycycline hydrochloride (CHEBI:749719) has role antiviral agent (CHEBI:22587)
doxycycline hydrochloride (CHEBI:749719) is a tetracyclines (CHEBI:26895)
Synonym  Source
NSC-756751ChEMBL
Citations