171099-57-3(Free base)
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Grundinformationen
- CAS
192564-14-0- Standard-SMILES
CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.O=P(O)(O)O- InChIKey
NIQCDURSAMXDNX-OTLIHLCASA-N- Summenformel
- C86H100Cl3N10O30P
- Durchschnittliche Molmasse
- 1.891,1 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 171099-57-3(Free base)
- IUPAC
- (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;phosphoric acid
- Englischer Name
- Oritavancin Diphosphate
- Summenformel
- C86H103Cl3N10O34P2
- Molmasse
- 1989.091142
Namen und Synonyme
NIQCDURSAMXDNX-OTLIHLCASA-N171099-57-3(free base)PD051459OC/ QTH05LY 333328 diphosphateOritavancin (phosphate)Oritavancin DiphosphateLY 333328ORITAVANCIN (PHOSPHATE)Oritavancin diphosphate (LY333328)oritavancin,LY333328 diphosphate salt(4''R)-22-o-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N3''-[(4'-chloro-biphenyl-4-yl)methyl]-vancomycin phosphate (1:2)
Weitere Namen anzeigen
(4''R)-22-o-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-N3''-[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]-vancomycin phosphate (1:2)Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-N3''-[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]-, (4''R)-, phosphate (1:2)
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 639 Ų
- H-Brücken-Donoren
- 23
- H-Brücken-Akzeptoren
- 33
- Frei drehbare Bindungen
- 19
- Schwere Atome
- 130
- Formalladung
- 0
- Komplexität
- 3.750
Physikochemische Eigenschaften
- Schmelzpunkt
- 229 °C · >229°C (dec.)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- powder
- Farbe
- white to beige
- Wasserlöslichkeit
- 2 O: · H2O: 10mg/mL, clear
- InChIKey
- PWTROOMOPLCZHB-BHYQHFGMSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1A
Chemie und Industrie
Anwendungen
BeschreibungOritavancin diphosphate is a glycopeptide analog related to the vancomycin class of antibiotics that inhibits the transpeptidase and transglycosylation steps of bacterial peptidoglycan cell-wall synthesis. The compound was discovered and initially developed by Eli Lilly and Co. The development of the compound was sold to Intermune and then to Targanta which was acquired by The Medicines Company who achieved approval of the drug by the US FDA for the treatment of acute bacterial skin and skin-structure infections caused by gram-positive bacteria. It is also approved for the treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections.
VerwendenAntibacterial (peptidoglycan synthesis inhibitor).
Ergänzende Hinweise
DefinitionChEBI: A phosphate salt obtained by combining oritavancin with two molar equivalents of phosphoric acid. Used for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-posit ve microorganisms.
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