Product Code

TRC-H944587

Product Format

Neat

Molecular Formula

C22H20D11N5O5

Molecular Weight

456.58

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

192939-72-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-Hydroxy Melagatran-d11

Molecular Formula

C22H20D11N5O5

Molecular Weight

456.58

Accurate Mass

456.3

SMILES

O=C([C@@H]1CCN1C([C@H](NCC(O)=O)C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])=O)NCC3=CC=C(C(NO)=N)C=C3

InChI

InChI=1S/C22H31N5O5/c23-20(26-30)17-8-6-15(7-9-17)14-25-21(28)18-10-12-27(18)22(29)19(24-11-13-32-31)16-4-2-1-3-5-16/h6-9,16,18-19,24,30-31H,1-5,10-12,14H2,(H2,23,26)(H,25,28)/t18-,19+/m0/s1/i1D2,2D2,3D2,4D2,5D2,16D

IUPAC

(S)-1-((R)-2-(cyclohexyl-d11)-2-((2-hydroperoxy-2l2-ethyl)amino)acetyl)-N-(4-(N-hydroxycarbamimidoyl)benzyl)azetidine-2-carboxamide

Unlabelled CAS Number

192939-72-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-Hydroxy Melagatran-d11

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