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CHEBI:59725 - demeclocycline hydrochloride
| Formula | C21H21ClN2O8.HCl |
| Net Charge | 0 |
| Average Mass | 501.319 |
| Monoisotopic Mass | 500.07532 |
| 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 |
| 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 |
| Roles Classification |
|---|
| Biological Role: | antibacterial drug A drug used to treat or prevent bacterial infections. |
| Applications: | aquaretic A class of diuretics which promote aquaresis (the excretion of water without electrolyte loss). antibacterial drug A drug used to treat or prevent bacterial infections. |
| 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 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 | Source |
|---|---|
| demeclocycline HCl | ChemIDplus |
| 7-chloro-6-demethyltetracycline hydrochloride | ChemIDplus |
| 6-demethyl-7-chlorotetracycline 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 |