Preferred Name |
doxycycline monohydrate |
|
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--water (1/1) doxycycline hydrate doxycycline |
|
Definitions |
The monohydrate form of doxycycline. 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_60648 |
|
charge |
0 |
|
database_cross_reference |
CAS:17086-28-1 KEGG:D00307 DrugBank:DB00254 |
|
definition |
The monohydrate form of doxycycline. 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 |
C22H26N2O9 |
|
has part | ||
has role | ||
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--water (1/1) |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
doxycycline hydrate doxycycline |
|
id |
CHEBI:60648 |
|
in_subset | ||
inchi |
InChI=1S/C22H24N2O8.H2O/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);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1 |
|
inchikey |
XQTWDDCIUJNLTR-CVHRZJFOSA-N |
|
label |
doxycycline monohydrate |
|
mass |
462.44980 |
|
monoisotopicmass |
462.16383 |
|
notation |
CHEBI:60648 |
|
prefLabel |
doxycycline monohydrate |
|
smiles |
O.[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 |
|
treeView | ||
subClassOf |