Preferred Name

demeclocycline

Synonyms

Demeclocycline

(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

DMCT

demeclocycline

demeclocyclinum

7-chloro-6-demethyltetracycline

[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

demeclociclina

DMCTC

demethylchlortetracycline

6-demethyl-7-chlorotetracycline

Definitions

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.

ID

http://purl.obolibrary.org/obo/CHEBI_4392

charge

0

database_cross_reference

Wikipedia:Demeclocycline

KEGG:D03680

DrugBank:DB00618

Patent:US2878289

Patent:FR1344645

Drug_Central:802

PMID:24134630

KEGG:D00290

CAS:127-33-3

Patent:US3019172

Patent:US3154476

Chemspider:10482117

Beilstein:2230579

Patent:US3012946

Patent:US3050446

definition

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.

formula

C21H21ClN2O8

has role

http://purl.obolibrary.org/obo/CHEBI_194423

http://purl.obolibrary.org/obo/CHEBI_176497

http://purl.obolibrary.org/obo/CHEBI_36047

has_alternative_id

CHEBI:554084

has_exact_synonym

Demeclocycline

(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

has_obo_namespace

chebi_ontology

has_related_synonym

DMCT

demeclocycline

demeclocyclinum

7-chloro-6-demethyltetracycline

[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

demeclociclina

DMCTC

demethylchlortetracycline

6-demethyl-7-chlorotetracycline

id

CHEBI:4392

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C21H21ClN2O8/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)/t6-,7-,14-,15-,21-/m0/s1

inchikey

FMTDIUIBLCQGJB-SEYHBJAFSA-N

label

demeclocycline

mass

464.85300

monoisotopicmass

464.09864

notation

CHEBI:4392

prefLabel

demeclocycline

smiles

[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

treeView

http://purl.obolibrary.org/obo/CHEBI_26895

subClassOf

http://purl.obolibrary.org/obo/CHEBI_26895

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