(1S,4aR,11S,11aS,12aS)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
Grundinformationen
- CAS
6542-44-5- Standard-SMILES
CC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@H]2[C@H](N(C)C)C1=O- InChIKey
VCGJFFLJLRZIHG-OIVQWWNTSA-N- Summenformel
- C23H25NO8
- Durchschnittliche Molmasse
- 443,4 g/mol
- Monoisotopische Masse
- 443,15801676
Namen und Bezeichner
- Bevorzugter Name
- (1S,4aR,11S,11aS,12aS)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
- IUPAC
- (1S,4aR,11S,11aS,12aS)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
- Englischer Name
- 2-acetyl-2-decarboxamidooxytetracycline
- Summenformel
- C23H25NO8
- Molmasse
- 443.45
Namen und Synonyme
6542-44-5Adotc cpd2-Acetyl-2-decarboxamidooxytetracyclineKF6I0R5HOO(1S,4aR,11S,11aS,12aS)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione(4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione2-Acetyl-2-decarboxamido-oxytetracycline(4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,11(4H,5H)-dione2-ACETYL-2-DECARBOXAMIDOTETRACYCLINEUNII-KF6I0R5HOOLymecycline EP Impurity BTetracycline EP Impurity B
Weitere Namen anzeigen
Oxytetracycline IMpurity CZPHAATWBCGBELI-OIVQWWNTSA-NTetracycline Impurity B(EP)Oxytetracycline EP Impurity CDoxycycline hyclate EP Impurity F2-Descarbamoyl-2-acetyltetracycline
orb2665399SCHEMBL13320430C23H25NO8DTXSID609840342-ACETYL-2-DECARBAMOYLTETRACYCLINEFA139060LYMECYCLINE IMPURITY B [EP IMPURITY]TETRACYCLINE IMPURITY B [EP IMPURITY]
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,7
- Polarare Oberfläche (TPSA)
- 156 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 967
Physikochemische Eigenschaften
- Siedepunkt
- 736.9 · 736.9±60.0 °C(Predicted)
- Dichte
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- InChIKey
- ZPHAATWBCGBELI-OIVQWWNTSA-N
- SMILES
- C1(=O)[C@]2(O)[C@@]([H])(C[C@@]3([H])C(=C2O)C(=O)C2=C(C=CC=C2O)[C@]3(O)C)[C@H](N(C)C)C(O)=C1C(C)=O
Chemie und Industrie
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