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CHEBI:59725 - demeclocycline hydrochloride

Default Structure
ChEBI IDCHEBI:59725
ChEBI Namedemeclocycline hydrochloride
Stars
DefinitionThe hydrochloride salt of demeclocycline. A tetracycline antibiotic, it is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.
Last Modified20 February 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H21ClN2O8.HCl
Net Charge0
Average Mass501.319
Monoisotopic Mass500.07532
SMILESCl.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)ccc(Cl)c1[C@H]2O
InChIInChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1
InChIKeyGVSJQNRGSCOSNJ-KBHRXELFSA-N
Roles Classification
Biological Roles:
antibacterial drug  A drug used to treat or prevent bacterial infections.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antibacterial drug  A drug used to treat or prevent bacterial infections.
aquaretic  A class of diuretics which promote aquaresis (the excretion of water without electrolyte loss).
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
demeclocycline hydrochloride (CHEBI:59725) has part demeclocycline (CHEBI:4392)
demeclocycline hydrochloride (CHEBI:59725) has role antibacterial drug (CHEBI:36047)
demeclocycline hydrochloride (CHEBI:59725) has role antiinfective agent (CHEBI:35441)
demeclocycline hydrochloride (CHEBI:59725) has role aquaretic (CHEBI:194423)
demeclocycline hydrochloride (CHEBI:59725) is a hydrochloride (CHEBI:36807)
demeclocycline hydrochloride (CHEBI:59725) is a organic molecular entity (CHEBI:50860)
demeclocycline hydrochloride (CHEBI:59725) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
INN  Source
demeclocycline hydrochlorideChemIDplus
Synonyms  Source
[4S-(4α,4aα,5aα,6β,12aα)]-7-chloro-4-(dimethylamino)1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide hydrochlorideChEBI
6-demethyl-7-chlorotetracycline hydrochlorideChemIDplus
7-chloro-6-demethyltetracycline hydrochlorideChemIDplus
DeclostatinChEMBL
demeclocycline HClChemIDplus
Demethylchlortetracycline hydrochlorideChEMBL
Brand Names  Source
DeclomycinChEMBL
LedermycinChEMBL
Manual XrefsDatabases
D00290KEGG DRUG
DB00618DrugBank
Registry NumbersSources
Beilstein:5705221Beilstein
CAS:64-73-3ChemIDplus
Citations