Deacetamidine Cyano Dabigatran Ethyl Ester-13C6
Product Code
TRC-D195651
CAS Number
Product Format
Neat
Molecular Formula
C₂₁¹³C₆H₂₆N₆O₃
Molecular Weight
488.49
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Price and availability
Product Information
Product Data
Analyte Name
Deacetamidine Cyano Dabigatran Ethyl Ester-13C6
CAS Number
1919877-37-4
Molecular Formula
C₂₁¹³C₆H₂₆N₆O₃
Molecular Weight
488.49
Accurate Mass
488.23
SMILES
O=C(C1=CC=C2C(N=C(CN[13C]3=[13C]([H])[13C]([H])=[13C](C#N)[13C]([H])=[13C]3[H])N2C)=C1)N(CCC(OCC)=O)C4=NC=CC=C4
InChI
InChI=1S/C27H26N6O3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30H,3,13,15,18H2,1-2H3/i7+1,8+1,10+1,11+1,19+1,21+1
IUPAC
ethyl 3-(2-(((4-cyanophenyl-1,2,3,4,5,6-13C6)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
Unlabelled CAS Number
211915-84-3
SIL Type
Carbon
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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