16-Epidesacetylfusidic acid
Grundinformationen
- CAS
5951-83-7- Standard-SMILES
CC(C)=CCC/C(C(=O)O)=C1\[C@H](O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C- InChIKey
ZYPQPWJLUKNCQX-KYZYRYDDSA-N- Summenformel
- C29H46O5
- Durchschnittliche Molmasse
- 474,7 g/mol
- Monoisotopische Masse
- 474,33452456
Namen und Bezeichner
- Bevorzugter Name
- 16-Epidesacetylfusidic acid
- IUPAC
- (2E)-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid
- Englischer Name
- 16-Epidesacetylfusidic acid
- Summenformel
- C29H46O5
- Molmasse
- 474.67
Namen und Synonyme
16-Epidesacetylfusidic acid5951-83-716-Epi-deacetyl-fusidic Acid(2E)-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acidEPIDESACETYLFUSIDIC ACIDDTXSID90714568(Z)-6-methyl-2-((3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)hept-5-enoic acidNSC319631NSC-319631G90873(17E)-3alpha,11alpha,16alpha-Trihydroxy-4alpha,8,14-trimethyl-5alpha,8alpha,9beta,13alpha,14beta-18-norcholesta-17,24-dien-21-oic acidFusidic Acid EP Impurity I;<br>Sodium Fusidate EP Impurity I;<br>16-epi-Deacetylfusidic acid
Weitere Namen anzeigen
Fusidic Acid Impurity IFusidic Acid EP Impurity IFusidic Acid BP Impurity?I6-Epi-Deacetylfusidic AcidSodium Fusidate Impurity ISodium Fusidate Impurity 9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 98 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 887
Physikochemische Eigenschaften
- Schmelzpunkt
- 199 · 199.0-199.5 °C
- Siedepunkt
- 632.3 · 632.3±55.0 °C(Predicted)
- Dichte
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 4.1 · 4.10±0.41(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
Verwenden16-Epi-deacetyl-fusidic Acid (Fusidic Acid EP Impurity I) is a metabolite of fusidic acid (F865500) which is a bacteriostatic antibiotic. Fusidic Acid suppresses nitric oxide lysis of pancreatic islet cells and inhibits protein synthesis in prokaryotes by inhibiting the ribosome-dependent activity of G factor and translocation of peptidyl-tRNA.
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