9-Aminominocycline
Grundinformationen
- CAS
149934-19-0- Standard-SMILES
CN(C)c1cc(N)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O- InChIKey
LRNDAPDRSWLZSE-IRDJJEOVSA-N- Summenformel
- C23H28N4O7
- Durchschnittliche Molmasse
- 472,5 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 9-Aminominocycline
- IUPAC
- (4S,4aS,5aR,12aR)-9-amino-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
- Englischer Name
- Tigecycline Metabolite M6 (9-AniMoMinocycline)
- Summenformel
- C23H28N4O7
- Molmasse
- 472.49
Namen und Synonyme
9-Aminominocycline149934-19-0W0778NOJ5H2-Naphthacenecarboxamide, 9-amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-TIGECYCLINE IMPURITY B [EP IMPURITY](4S,4AS,5AR,12AS)-9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE (9-AMINOMINOCYCLINE)TIGECYCLINE IMPURITY B (EP IMPURITY)RefChem:549170UNII-W0778NOJ5H(4S,4aS,5aR,12aR)-9-amino-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide9-Amino minocycline9-Amino-minocycline
Weitere Namen anzeigen
Tigecycline MetaboliteTigecycline Impurity 31Minocycline Impurity 19Tigecycline impurity 21Tigecycline Metabolite M6Tigecycline USP Impurity D9-Animominocycline HydrochlorideTigecycline impurity B (Y0001944)Tigecycline USP Related Compound DTigecycline EP Impurity B(USP Impurity D)
Tigecycline impurity B CRSCHEMBL236463SCHEMBL2612815SCHEMBL21541578IQIPCMYBFDOLBO-IRDJJEOVSA-N(4S,4AS,5AR,12AS)-9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-4A,5,5A,6-TETRAHYDRO-4H-TETRACENE-2-CARBOXAMIDEMFCD14666524AKOS025212474
Datenbank-Bezeichner
- CAS
149934-19-0- PubChem CID
- 54676112
- ChEMBL
CHEMBL236463- UNII
- W0778NOJ5H
- EC Number
- 690-970-7
- Nikkaji
- J1.112.502F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 191 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 1.010
Physikochemische Eigenschaften
- Siedepunkt
- 830.7 · 830.7±65.0 °C(Predicted)
- Dichte
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesRepr. 2 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H361
Chemie und Industrie
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