Siponimod-D11
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- structure.search.product.name Siponimod-D11
- Product Code: TRC-S683662
- Brand: TRC
Product Overview
Product Code
TRC-S683662
Product Format
Neat
Molecular Formula
C29 D11 H24 F3 N2 O3
Molecular Weight
527.663
Product Categories
TRC, Stable isotopes, API Reference Standards & Research Materials
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Siponimod-D11
Molecular Formula
C29 D11 H24 F3 N2 O3
Molecular Weight
527.663
Accurate Mass
527.329
SMILES
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(c2ccc(CO\N=C(/C)\c3ccc(CN4CC(C4)C(=O)O)c(CC)c3)cc2C(F)(F)F)C([2H])([2H])C1([2H])[2H]
InChI
InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+/i4D2,5D2,6D2,7D2,8D2,22D
IUPAC
1-[[2-ethyl-4-[(E)-C-methyl-N-[[3-(trifluoromethyl)-4-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)phenyl]methoxy]carbonimidoyl]phenyl]methyl]azetidine-3-carboxylic acid
Unlabelled CAS Number
1230487-00-9
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled; API
Product Format
Neat
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