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Product Overview

Product Code

TRC-C441377

Product Format

Neat

Molecular Formula

C27 D3 H25 N2 O7

Molecular Weight

495.539

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, API

Unlabelled CAS Number

132203-70-4

Documentation

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Product Information

Chemical Data

Analyte Name

Cilnidipine-d3

Molecular Formula

C27 D3 H25 N2 O7

Molecular Weight

495.539

Accurate Mass

495.208

SMILES

[2H]C([2H])([2H])OCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC\C=C\c3ccccc3)C

InChI

InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+/i3D3

IUPAC

5-O-[(E)-3-phenylprop-2-enyl] 3-O-[2-(trideuteriomethoxy)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Unlabelled CAS Number

132203-70-4

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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