Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Id http://purl.obolibrary.org/obo/CHEBI_59725
http://purl.obolibrary.org/obo/CHEBI_59725
Preferred Name

demeclocycline hydrochloride
Definitions
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.
Synonyms
6-demethyl-7-chlorotetracycline hydrochloride
7-chloro-6-demethyltetracycline hydrochloride
[4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-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
demeclocycline hydrochloride
demeclocycline HCl
(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
Type http://www.w3.org/2002/07/owl#Class

All Properties

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.
label
demeclocycline hydrochloride
prefLabel
demeclocycline hydrochloride
database_cross_reference
DrugBank:DB00618
Beilstein:5705221
KEGG:D00290
CAS:64-73-3
notation
CHEBI:59725
in_subset
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
has_related_synonym
6-demethyl-7-chlorotetracycline hydrochloride
7-chloro-6-demethyltetracycline hydrochloride
[4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-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
demeclocycline hydrochloride
demeclocycline HCl
id
CHEBI:59725
has part
charge
0
has_obo_namespace
chebi_ontology
formula
C21H22Cl2N2O8
subClassOf
inchikey
GVSJQNRGSCOSNJ-KBHRXELFSA-N
mass
501.31400
monoisotopicmass
500.07532
type
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
has role
has_exact_synonym
(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
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