Valtorcitabine

Base Information

• Chemical Name: Valtorcitabine
• CAS No.: 380886-95-3
• Molecular Formula: C14H22N4O5
• Molecular Weight: 326.35
• UNII: D5YQG6AQXP
• DSSTox Substance ID: DTXSID60870342
• Wikidata: Q27276134
• NCI Thesaurus Code: C95912
• Metabolomics Workbench ID: 149661
• ChEMBL ID: CHEMBL2106499
• Mol file: 380886-95-3.mol

Synonyms:Valtorcitabine;380886-95-3;Valtorcitabine [INN];D5YQG6AQXP;UNII-D5YQG6AQXP;3'-val-l-dc;[(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;Valtorcitabine (INN);L-Valine, 3'-ester with 4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)-2(1H)-pyrimidinone;Epcitabine;C14H22N4O5;C14-H22-N4-O5;L-2-deoxycytidine;Val-L-dC;L-dC, Idenix/Novartis;Beta-L-2`-deoxycytidine;D0X3LD;L-dC prodrug, Idenix/Novartis;CHEMBL2106499;DTXSID60870342;LDC-300;DB06187;D10894;L-VALINE, 3'-ESTER WITH 2'-DEOXYCYTIDINE;Q27276134;(2S,3R,5S)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl (2S)-2-amino-3-methylbutanoate

Chemical Property of Valtorcitabine

Chemical Property:

• PSA: 143.68000
• Density: 1.53 g/cm³
• LogP: 1.64710
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 326.15901982
• Heavy Atom Count: 23
• Complexity: 533

Purity/Quality:

97% ^*data from raw suppliers

2'-Deoxy-L-cytidine 3'-O-L-valinyl ester 2HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)OC1CC(OC1CO)N2C=CC(=NC2=O)N)N
• Isomeric SMILES: CC(C)[C@@H](C(=O)O[C@@H]1C[C@H](O[C@H]1CO)N2C=CC(=NC2=O)N)N
• Recent ClinicalTrials: Telbivudine Versus the Combination of Telbivudine and Valtorcitabine in Patients With Chronic Hepatitis B
• Uses: Antiviral; treatment of Hepatitis B.