BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

doxycycline hyclate

Synonyms
Definitions

The hemiethanolate hemihydrate of doxycycline hydrochloride. 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_34730

alternative term

InChIKey=HALQELOKLVRWRI-VDBOFHIQSA-N

O.[Cl-].[Cl-].CCO.[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]([NH+](C)C)[C@]1([H])[C@H]2O.[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]([NH+](C)C)[C@]1([H])[C@H]2O

doxycycline hydrochloride hemiethanolate hemihydrate

InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(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;1-2-3;;;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1

(1S,4aS,11R,11aR,12S,12aR)-3-carbamoyl-2,4a,5,7,12-pentahydroxy-N,N,11-trimethyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-1-aminium chloride--ethanol--water (2/1/1)

6-deoxy-5-hydroxytetracycline hydrochloride hemihydrate

C46H58Cl2N4O18

definition

The hemiethanolate hemihydrate of doxycycline hydrochloride. 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.

has part

http://purl.obolibrary.org/obo/CHEBI_652992

http://purl.obolibrary.org/obo/CHEBI_16236

has role

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

label

doxycycline hyclate

prefixIRI

CHEBI:34730

prefLabel

doxycycline hyclate

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35505

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