demeclocycline
(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular Identity
demeclocycline
(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID: 54680690
Demeclocycline is tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an antibiotic, but being excreted more slowly, effective blood levels are maintained for longer. 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. It has a role as a geroprotector, an aquaretic and an antibacterial drug.
2D Structure
Properties
C21H21ClN2O8
Molecular Formula
464.90
Molecular Weight
g/mol
464.0986
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
182
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
961
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
demeclocyclineDemethylchlortetracycline127-33-3DMCTLedermycin6-Demethyl-7-chlorotetracyclineDemethylchlortetracyclinDemeclociclina7-Chloro-6-demethyltetracyclineDemeclocyclinumClortetrinDeclomycinDemethylchlorotetracyclineDemethylchlortetracyclinum6-Demethylchlorotetracycline
Data from PubChem (NCBI)
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