3’,5’-Di-O-benzyl Entecavir-13C2,15N
Product Code
TRC-D417552
Product Format
Neat
Molecular Formula
13C2 C24 H27 15N N4 O3
Molecular Weight
460.503
Product Categories
TRC, Anti-Hepatitis agents, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Product Information
Chemical Data
Analyte Name
3’,5’-Di-O-benzyl Entecavir-13C2,15N
Molecular Formula
13C2 C24 H27 15N N4 O3
Molecular Weight
460.503
Accurate Mass
460.215
SMILES
NC1=N[13c]2c([15n]cn2[C@H]3C[C@H](OCc4ccccc4)[C@@H](COCc5ccccc5)C3=C)[13C](=O)N1
InChI
InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1/i24+1,25+1,28+1
IUPAC
2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
Unlabelled CAS Number
142217-81-0
SIL Type
Carbon, Nitrogen
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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