Valopicitabine

Base Information

• Chemical Name: Valopicitabine
• CAS No.: 640281-90-9
• Deprecated CAS: 642075-49-8
• Molecular Formula: C15H24 N4 O6
• Molecular Weight: 356.37
• UNII: I2T0B5G94M
• DSSTox Substance ID: DTXSID70214011
• Nikkaji Number: J2.450.486G
• Wikipedia: Valopicitabine
• Wikidata: Q27280296
• NCI Thesaurus Code: C66649
• Metabolomics Workbench ID: 154666
• ChEMBL ID: CHEMBL393820
• Mol file: 640281-90-9.mol

Synonyms:2'-C-methylcytidine 3'-O-L-valinyl ester;2'-C-methylcytidine 3'-O-valinyl ester;NM 283;NM-283;valopicitabine

Chemical Property of Valopicitabine

Chemical Property:

• Boiling Point: 548.4±60.0 °C(Predicted)
• PKA: 12.98±0.70(Predicted)
• PSA: 162.92000
• Density: 1.54±0.1 g/cm3(Predicted)
• LogP: -0.35720
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 356.16958450
• Heavy Atom Count: 25
• Complexity: 607

Purity/Quality:

97% ^*data from raw suppliers

VALOPICITABINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)OC1C(OC(C1(C)O)N2C=CC(=NC2=O)N)CO)N
• Isomeric SMILES: CC(C)[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)O)N2C=CC(=NC2=O)N)CO)N
• Recent ClinicalTrials: Dose Escalation Study to Evaluate the Safety and Antiviral Activity of Val-mCyd in Adults With Chronic Hepatitis C
• Uses: Treatment of chronic hepatitis C (HCV RNA polymerase inhibitor).