loading...| Preferred Name |
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|
| Synonyms |
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide Doxycycline Vibramycin doxycyclinum Jenacyclin 5-hydroxy-alpha-6-deoxytetracycline doxycycline (anhydrous) doxiciclina Doxycyclin (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE doxycycline 6alpha-deoxy-5-oxytetracycline Supracyclin |
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| Definitions |
Tetracycline in which the 5beta-hydrogen is replaced by a hydroxy group, while the 6alpha-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50845 |
|
| charge |
0 |
|
| database_cross_reference |
SNOMEDCT:372478003 MeSH:D004318 SNOMEDCT:10504007 NCIt:C457 Beilstein:3041790 PMID:1650428 PMID:34355683 VSDB:1840 LIPID_MAPS_instance:LMPK07000001 MetaCyc:CPD-19256 PMID:11891205 Reaxys:3041790 PMID:34551605 PMID:16651635 Chemspider:10469369 PMID:24134630 PMID:23698443 PMID:11850258 Wikipedia:Doxycycline CAS:564-25-0 PMID:34338231 Drug_Central:961 KEGG:C06973 PMID:34577552 PMID:34128838 HMDB:HMDB0014399 PMID:34228348 PDBeChem:DXT KEGG:D07876 PMCID:PMC8464303 Patent:US3200149 KNApSAcK:C00017127 PMCID:PMC8466018 DrugBank:DB00254 PMID:34318509 PMID:19630297 Patent:US3019260 PMID:11477376 |
|
| definition |
Tetracycline in which the 5beta-hydrogen is replaced by a hydroxy group, while the 6alpha-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. |
|
| formula |
C22H24N2O8 |
|
| has_alternative_id |
CHEBI:4713 CHEBI:42135 |
|
| has_exact_synonym |
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide Doxycycline |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Vibramycin doxycyclinum Jenacyclin 5-hydroxy-alpha-6-deoxytetracycline doxycycline (anhydrous) doxiciclina Doxycyclin (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE doxycycline 6alpha-deoxy-5-oxytetracycline Supracyclin |
|
| has_role | ||
| id |
CHEBI:50845 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 |
|
| inchikey |
JBIWCJUYHHGXTC-AKNGSSGZSA-N |
|
| label |
doxycycline |
|
| mass |
444.43464 |
|
| monoisotopicmass |
444.15327 |
|
| notation |
CHEBI:50845 |
|
| smiles |
[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O |
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| subClassOf |