Doxycycline hyclate
Grundinformationen
- CAS
24390-14-5- Standard-SMILES
CCO.C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.O- InChIKey
DWBSXBGBGHKWOT-WBYAVNBMSA-N- Summenformel
- C24H33ClN2O10
- Durchschnittliche Molmasse
- 545 g/mol
- Monoisotopische Masse
- 544,1823729
Überblick
See also: Doxycycline Hyclate (annotation moved to); Doxycycline (annotation moved to); Doxycycline Hydrochloride (annotation moved to) ... View More ...
Namen und Bezeichner
- Bevorzugter Name
- Doxycycline hyclate
- IUPAC
- (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;hydrate;hydrochloride
- Englischer Name
- Doxycycline hyclate
- Summenformel
- C24H31ClN2O9
- Molmasse
- 526.97
Namen und Synonyme
Doxycycline hyclateVibramycinPeriostat24390-14-5Doxycycline (hydrochloride)SCHEMBL2228672CHEMBL1200567DTXSID4041020MFCD06200253AKOS025310153controlled-release doxycycline hy-clate(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;hydrate;hydrochloride
Weitere Namen anzeigen
DOXYCYCLINE HYDRATEDoxycycline hyclate CRSDoxycycline HydrochlocideDoxycycline Hyclate Soluble PowderDoxycycline for system suitability CRSWC2031DoxycycLine hycLDoxycycline Hc1Doxycycline API
(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--ethanol--hydrogen chloride--water (1/1/1/1)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 203 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 958
Experimentelle und physikochemische Eigenschaften
Solubility>76.9 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 206 · 206-209C (dec.)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: soluble50mg/mL
- Aggregatzustand
- Yellow to yellow-green crystalline solid
- Farbe
- yellow to greenish-yellow
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- 50 mg/ml · Soluble in water to 50mg/ml. May require warming.Soluble in water, methanol. Sparingly soluble in ethanol. Insoluble in chloroform and ether.
- Merck
- 14 · 14,3440
- BRN
- 5702728 · 5702728
- Major Application
- clinical testing
- InChIKey
- HALQELOKLVRWRI-VDBOFHIQSA-N
- SMILES
- C(O)C.O[C@@]12C(C(C(=O)N)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]([C@]1([H])[C@H](C3C=CC=C(O)C=3C(=O)C1=C2O)C)O)=O.Cl |&1:4,12,16,18,19,21,r|
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29413000
- risk_code
- 22-36/37/38
- Toxizität
- LD50 i.p. in rats: 262 mg/kg (Goldenthal)
- hazard_code
- Xn
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
BeschreibungDoxycycline Hyclate is the hyclate salt form of doxycycline, is a broad-spectrum tetracycline antibiotic. It inhibits bacterial protein synthesis by binding to ribosomes. Doxycycline also selectively inhibits human matrix metalloproteinase-8 (MMP-8) and MMP-13 over MMP-1 with 50, 60, and 5% inhibition, respectively, when used at a concentration of 30 μM. It can be used as a regulator for inducible gene expression systems where expression depends on either the presence (Tet-On) or absence (Tet-Off) of doxycycline. Formulations containing doxycycline have been used in the treatment of bacterial infections and the prevention of malaria.
VerwendenDoxycycline hyclate is a member of the tetracycline antibiotics group, and is commonly used to treat a variety of infections. It is used in the treatment of chlamydia, rickettsia, mycoplasma and some spirochete infections. It is also used to inhibit matrix metalloproteinases at subantimicrobial doses. Inhibits matrix metalloproteinases at subantimicrobial doses.
Ergänzende Hinweise
DefinitionChEBI: 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 chroni obstructive pulmonary disease (COPD), and adult periodontitis.
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