beta-Apo-oxytetracycline
Grundinformationen
- CAS
18751-99-0- Standard-SMILES
Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@@H]2[C@H]1[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@H]1O- InChIKey
DRKMHDAKULCOKQ-VPZFNDQJSA-N- Summenformel
- C22H22N2O8
- Durchschnittliche Molmasse
- 442,4 g/mol
- Monoisotopische Masse
- 442,13761566
Namen und Bezeichner
- Bevorzugter Name
- beta-Apo-oxytetracycline
- IUPAC
- (3S,4S,5R)-4-[(1R)-4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
- Englischer Name
- β-Apo-oxytetracycline
- Summenformel
- C22H22N2O8
- Molmasse
- 442.42
Namen und Synonyme
beta-apo-Oxytetracyclinebeta-Apooxytetracycline7HSY5812F9.beta.-ApooxytetracyclineUNII-7HSY5812F9.BETA.-APO-OXYTETRACYCLINEAPOOXYTETRACYCLINE, .BETA..BETA.-APO-5-OXYTETRACYCLINEOXYTETRACYCLINE HYDROCHLORIDE IMPURITY E [EP IMPURITY](3S,4S,5R)-4-((1R)-4,5-DIHYDROXY-9-METHYL-3-OXO-1,3-DIHYDRONAPHTHO(2,3-C)FURAN-1-YL)-3-(DIMETHYLAMINO)-2,5-DIHYDROXY-6-OXOCYCLOHEX-1-ENECARBOXAMIDE1-CYCLOHEXENE-1-CARBOXAMIDE, 4-((1R)-1,3-DIHYDRO-4,5-DIHYDROXY-9-METHYL-3-OXONAPHTHO(2,3-C)FURAN-1-YL)-3-(DIMETHYLAMINO)-2,5-DIHYDROXY-6-OXO-, (3S,4S,5R)-OXYTETRACYCLINE HYDROCHLORIDE IMPURITY E (EP IMPURITY)
Weitere Namen anzeigen
β-Apooxytetracyclineb-Apo-oxytetracyclineβ-Apo-oxytetracyclineApooxytetracycline, beta-ALPHA-APO-OXYTETRACYCLINEOxytetracycline Impurity Eβ-Apo-oxytetracycline, >85%β-Apo-oxytetracycline (>80%)
RefChem:199804APOOXYTETRACYCLINE, BETABETA-APO-5-OXYTETRACYCLINE18751-99-0Oxytetracycline EP Impurity E1361013-49-1C22H22N2O8??-Apooxytetracycline
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 171 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 857
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 200 · 200-204 °C
- Siedepunkt
- 742.4 · 742.4±60.0 °C(Predicted)
- Dichte
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator, Under Inert Atmosphere
- Löslichkeit
- Aqueous Base (Slightly), Methanol (Slightly, Heated, Sonicated)
- pka
- 1.62 · 1.62±0.58(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Yellow-brown to brown
- Stabilität
- Unstable in basic solution
- InChIKey
- DRKMHDAKULCOKQ-VUPCMTQJSA-N
- SMILES
- C1(C(N)=O)C(=O)[C@H](O)[C@@H](C2C3=C(C)C4C(=C(O)C=CC=4)C(O)=C3C(=O)O2)[C@@H](N(C)C)C=1O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- hs_code
- 29413020
- risk_code
- 63
- hazard_code
- Xn
- safety_code
- 45-36/37
Chemie und Industrie
Anwendungen
Beschreibungβ-Apooxytetracycline is a potential impurity found in commercial preparations of oxytetracycline. β-Apooxytetracycline is a degradation product formed from oxytetracycline via acid hydrolysis. It has a relative potency of 0.1 compared with oxytetracycline for inhibiting the growth of aerobic sludge bacteria, an MIC50 value of 32 mg/L for tetracycline-sensitive strains of Pseudomonas, and MIC50 values of greater than 32 mg/L for tetracycline-sensitive strains of Agrobacterium, Moraxella, and Bacillus, as well as tetracycline-resistant strains of E. coli. β-Apooxytetracycline (10 mg/kg) is toxic to rats, decreasing body weight, disrupting blood cell counts, and inducing hepatocyte necrosis.
VerwendenOxytetracycline metabolite (absolute stereochemistry unknown)
Anbieter54 Anbieter
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海维亦特生物科技有限公司
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