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1312424-26-2Rilpivirine-D6

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Katalog-Nr.::	DVE002145
CAS-Nr.::	1312424-26-2
Summenformel::	C22H12D6N6
Molare Masse::	372.46 g/mol

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Zusätzliche Informationen zu CAS 1312424-26-2

Parent drug

Rilpivirine

IUPAC-Name

(E)-4-((4-((4-(2-cyanovinyl)-2,6-bis(methyl-d3)phenyl)amino)pyrimidin-2-yl)amino)benzonitrile

Pharmacopeial Synonyms

N/A

Synonyme

N/A

SMILES

N#CC1=CC=C(NC2=NC=CC(NC3=C(C([2H])([2H])[2H])C=C(/C=C/C#N)C=C3C([2H])([2H])[2H])=N2)C=C1

InChI

InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+/i1D3,2D3

Beschreibung

Rilpivirine-D6 (CAS 1312424-26-2) is a deuterated impurity characterized by a +6 Da mass shift relative to the parent compound and a distinctive isotopic envelope. Analytical identification relies on LC-MS and NMR, with deuterium incorporation confirmed by mass accuracy and proton signal attenuation in 1H NMR. Common related species include partially deuterated analogs and oxidative or hydrolytic byproducts originating from synthesis, which require monitoring due to potential coelution and variable ionization efficiency. Typical specifications define chemical purity, isotopic purity and limits for residual protio-Rilpivirine. Stability under controlled temperature and protection from moisture minimizes back exchange and secondary impurity formation.