Oritavancin

Base Information

• Chemical Name: Oritavancin
• CAS No.: 171099-57-3
• Molecular Formula: C86H97 Cl3 N10 O26
• Molecular Weight: 1793.12
• UNII: PUG62FRZ2E
• ChEMBL ID: CHEMBL1688530
• DSSTox Substance ID: DTXSID20897570
• Metabolomics Workbench ID: 70998
• NCI Thesaurus Code: C174855
• RXCUI: 1547611
• Wikidata: Q7102878
• Wikipedia: Oritavancin
• Mol file: 171099-57-3.mol

Synonyms:(4''R)-22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin;LY 333328;LY-333328;LY333328;Orbactiv;oritavancin

Chemical Property of Oritavancin

Chemical Property:

• PKA: 2.93±0.70(Predicted)
• PSA: 560.98000
• Density: 1.59±0.1 g/cm3(Predicted)
• LogP: 8.57000
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 19
• Exact Mass: 1790.564106
• Heavy Atom Count: 125
• Complexity: 3700

Purity/Quality:

ORITAVANCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)OC9C(C(C(C(O9)CO)O)O)OC1CC(C(C(O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O
• Recent ClinicalTrials: Study to Evaluate the Safety and Tolerability of Single-Dose Intravenous (IV) Oritavancin
• Recent EU Clinical Trials: A Multicenter, Open-Label, Evaluator-Blinded, Randomized Study to Evaluate the Safety and Tolerability of Single-Dose IV Oritavancin Versus Standard of Care for the Treatment of Pediatric Subjects with Acute Bacterial Skin And Skin Structure Infections
• Clinical Use: Antibacterial agent
• Drug interactions: Potentially hazardous interactions with other drugs Anticoagulants: possibly increases warfarin concentration.