Elbasvir-d6
Product Code
TRC-E501012-75MG
CAS Number
Product Format
Neat
Molecular Formula
C49 D6 H49 N9 O7
Molecular Weight
888.054
Product Categories
Product Type
Stable Isotope LabelledPrice and availability
Product Information
Product Data
Analyte Name
Elbasvir-d6
CAS Number
2101183-01-9
Molecular Formula
C49 D6 H49 N9 O7
Molecular Weight
888.054
Accurate Mass
887.46
SMILES
[2H]C([2H])([2H])OC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2ncc([nH]2)c3ccc4c(O[C@@H](c5ccccc5)n6c4cc7cc(ccc67)c8cnc([nH]8)[C@@H]9CCCN9C(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C)C)c3
InChI
InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1/i5D3,6D3
IUPAC
trideuteriomethyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-3-methyl-2-(trideuteriomethoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
SIL Type
Deuterium
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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