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Product Overview

Product Code

TRC-S683660

CAS Number

1230487-00-9

Product Format

Neat

Molecular Formula

C29H35F3N2O3

Molecular Weight

516.6

API Family

Siponimod

Product Categories

Additional Neuro Products, TRC, Multiple Sclerosis, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

Siponimod

CAS Number

1230487-00-9

Molecular Formula

C29H35F3N2O3

Molecular Weight

516.6

Accurate Mass

516.26

SMILES

CCc1cc(ccc1CN2CC(C2)C(=O)O)\C(=N\OCc3ccc(C4CCCCC4)c(c3)C(F)(F)F)\C

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+

IUPAC

1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Siponimod

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