2-Naphthacencarboxamid, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Monohydrochlorid, [4S-(4α,4aα,5α,5aα,6α,12aα)]-
Doxycycline Hydrochloride
Grundinformationen
- CAS
10592-13-9- Standard-SMILES
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- InChIKey
RUYHIJHUVHIMIR-PGTYNCOMNA-N- Summenformel
- C22H25ClN2O8
- Durchschnittliche Molmasse
- 480,9 g/mol
Überblick
Doxycycline Hydrochloride is the hydrochloride salt form of doxycycline exhibiting antimicrobial activity. Doxycycline blocks binding of aminoacyl-tRNA to the mRNA-ribosome complex, thereby inhibiting protein synthesis. In addition, this agent has exhibited inhibition of collagenase activity. (NCI)
Namen und Bezeichner
- Bevorzugter Name
- Doxycycline Hydrochloride
- 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;hydrochloride
- Lokaler Name
- 2-Naphthacencarboxamid, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Monohydrochlorid, [4S-(4α,4aα,5α,5aα,6α,12aα)]-
- Englischer Name
- Doxycycline hydrochloride
- Summenformel
- C22H25ClN2O8
- Molmasse
- 480.9
Namen und Synonyme
Doxycycline hydrochloride10592-13-9Doxycycline HClIdocyklinLiomycinNivocilinRoximycinTanamicinEcodoxSamecinTecacinDoxy-tablinen
Weitere Namen anzeigen
HyclateDOXYCYCLINE HYDROCHLORIDE HEMIETHANOLATE HEMIHYDRATEDoxycyclini HyclasDOXYCYCLINE HYCLATE HYDRATEDoxycChemicalbookyclinehydrochlorideDoxycycline Hydrochloride, Ready Made Solutionretens
(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 hydrochlorideVibramycin hydrochlorideDTXSID1045405DoxigalumicinaBiocamycinMidoxinNovadoxVibradox
Datenbank-Bezeichner
- CAS
10592-13-9- PubChem CID
- 54685920
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 182 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 956
Experimentelle und physikochemische Eigenschaften
Collision Cross Section195.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 · 195-201℃
- Flammpunkt
- 87 ℃ · 87℃
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- 2 O: · H2O: 50 mg/mL, clear, yellow-green
- Aggregatzustand
- powder
- Farbe
- yellow
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Soluble in water.
- BCS Class
- 1 · 1
- InChIKey
- RUYHIJHUVHIMIR-PGTYNCOMNA-N
- SMILES
- 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 |&1:1,9,13,15,16,18,r|
- CAS Datenbank
- 10592 · 10592-13-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationDoxycycline hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.alpha.,12a.alpha.)]-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29413000
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenDoxycycline hydrochloride is a salt prepared from doxycycline taking advantage of the basic dimethylamino group which protonates and readily forms a salt in hydrochloric acid solutions. The hydrochloride is the preferred formulation for pharmaceutical applications. Like all tetracyclines, doxycycline shows broad spectrum antibacterial and antiprotozoan activity and acts by binding to the 30S and 50S ribosomal subunits, blocking protein synthesis.
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