Product Code

TRC-C442003

Product Format

Neat

Molecular Formula

C21 D5 H25 N4 O4

Molecular Weight

407.518

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

66564-14-5

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Cinitapride-d5

Molecular Formula

C21 D5 H25 N4 O4

Molecular Weight

407.518

Accurate Mass

407.258

SMILES

[2H]C([2H])([2H])C([2H])([2H])Oc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)/i1D3,2D2

IUPAC

4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-5-nitro-2-(1,1,2,2,2-pentadeuterioethoxy)benzamide

Unlabelled CAS Number

66564-14-5

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Cinitapride-d5

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