Oritavancin diphosphate

Base Information

• Chemical Name: Oritavancin diphosphate
• CAS No.: 192564-14-0
• Molecular Formula: C86H103Cl3N10O34P2
• Molecular Weight: 1989.091142
• UNII: VL1P93MKZN
• DSSTox Substance ID: DTXSID901027688
• Wikidata: Q27156742
• NCI Thesaurus Code: C170262
• RXCUI: 1549827
• ChEMBL ID: CHEMBL3989766
• Mol file: 192564-14-0.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 diphosphate

Chemical Property:

• Melting Point: >229°C (dec.)
• PSA: 736.12000
• LogP: 6.85530
• Storage Temp.: -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 26
• Hydrogen Bond Acceptor Count: 37
• Rotatable Bond Count: 19
• Exact Mass: 1986.517897
• Heavy Atom Count: 135
• Complexity: 3750

Purity/Quality:

99% ^*data from raw suppliers

OritavancinPhosphate ^*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.OP(=O)(O)O.OP(=O)(O)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.OP(=O)(O)O.OP(=O)(O)O
• Recent ClinicalTrials: Relative Exposure and Safety Study of Kimyrsa in ABSSSI Patients
• 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
• Description: Oritavancin 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.
• Uses: Antibacterial (peptidoglycan synthesis inhibitor). Oritavancin phosphate can be used in biological study of synthesis, properties, and mechanism of action of new generation of polycyclic glycopeptide antibiotics.