CHEBI:59725 - demeclocycline hydrochloride

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ChEBI Name demeclocycline hydrochloride
ChEBI ID CHEBI:59725
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H22Cl2N2O8
Net Charge 0
Average Mass 501.31400
Monoisotopic Mass 500.07532
InChI InChI=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
InChIKey GVSJQNRGSCOSNJ-KBHRXELFSA-N
SMILES Cl.[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
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 aquaretic (CHEBI:194423)
demeclocycline hydrochloride (CHEBI:59725) is a hydrochloride (CHEBI:36807)
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 hydrochloride ChemIDplus
Synonyms Sources
6-demethyl-7-chlorotetracycline hydrochloride ChemIDplus
7-chloro-6-demethyltetracycline hydrochloride ChemIDplus
[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 hydrochloride ChEBI
demeclocycline HCl ChemIDplus
Manual Xrefs Databases
D00290 KEGG DRUG
DB00618 DrugBank
View more database links
Registry Numbers Types Sources
5705221 Beilstein Registry Number Beilstein
64-73-3 CAS Registry Number ChemIDplus
Last Modified
20 February 2023