Product Code

TRC-P536502

Product Format

Neat

Molecular Formula

C22H21D4NO4 • HCl

Molecular Weight

407.92

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1248-42-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Pitofenone-d4 Hydrochloride

Molecular Formula

C22H21D4NO4 • HCl

Molecular Weight

407.92

Accurate Mass

407.18

SMILES

O=C(C1=C(C(OC)=O)C=CC=C1)C2=CC=C(C=C2)OC([2H])([2H])C([2H])([2H])N3CCCCC3.Cl

InChI

InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H/i15D2,16D2;

IUPAC

methyl 2-(4-(2-(piperidin-1-yl)ethoxy-1,1,2,2-d4)benzoyl)benzoate hydrochloride

Unlabelled CAS Number

1248-42-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Pitofenone-d4 Hydrochloride

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