The Prescription of Drugs Ontology

Last uploaded: September 4, 2020
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Id http://purl.obolibrary.org/obo/CHEBI_50845
http://purl.obolibrary.org/obo/CHEBI_50845
Preferred Name

Doxycycline
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.
Synonyms
5-hydroxy-alpha-6-deoxytetracycline
doxycycline (anhydrous)
6alpha-deoxy-5-oxytetracycline
Supracyclin
doxiciclina
(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
doxycyclinum
Doxycyclin
Jenacyclin
Vibramycin
(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
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Type http://www.w3.org/2002/07/owl#Class

All Properties

label
doxycycline
Doxycycline
prefLabel
Doxycycline
database_cross_reference
CAS:564-25-0
PMID:34355683
PMCID:PMC8466018
PMID:19630297
PDBeChem:DXT
PMID:1650428
PMID:34318509
KEGG:D07876
Beilstein:3041790
Chemspider:10469369
DrugBank:DB00254
PMID:11891205
KNApSAcK:C00017127
Wikipedia:Doxycycline
PMID:34338231
PMID:11477376
Patent:US3200149
Drug_Central:961
PMID:23698443
HMDB:HMDB0014399
PMID:24134630
PMID:16651635
PMID:34577552
KEGG:C06973
PMID:11850258
LIPID_MAPS_instance:LMPK07000001
Reaxys:3041790
PMCID:PMC8464303
PMID:34228348
MetaCyc:CPD-19256
PMID:34551605
PMID:34128838
Patent:US3019260
VSDB:1840
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notation
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
has_related_synonym
5-hydroxy-alpha-6-deoxytetracycline
doxycycline (anhydrous)
6alpha-deoxy-5-oxytetracycline
Supracyclin
doxiciclina
(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
doxycyclinum
Doxycyclin
Jenacyclin
Vibramycin
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id
CHEBI:50845
charge
0
has_obo_namespace
chebi_ontology
prefixIRI
CHEBI:50845
textual 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
subClassOf
inchikey
JBIWCJUYHHGXTC-AKNGSSGZSA-N
mass
444.43464
monoisotopicmass
444.15327
has_alternative_id
CHEBI:42135
CHEBI:4713
type
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
has_RxCUI
3640
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
Doxycycline
bearer_of
alternative term
5-hydroxy-alpha-6-deoxytetracycline
doxycycline (anhydrous)
6alpha-deoxy-5-oxytetracycline
Supracyclin
doxiciclina
(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
doxycyclinum
Doxycyclin
Jenacyclin
Vibramycin
(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
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