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Rilpivirine-[13C6]

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General Information
Catalog: BLP-004140
Molecular Formula: C16[13C]6H18N6
Molecular Weight: 372.37

Chemical Structure

Description	Isotopic labelled Rilpivirine ia a novel non-nucleoside reverse transcriptase inhibitor. Rilpivirine seems to be well tolerated with less CNS disturbance than Efavirenz, and has non-teratogenic potential. An anti-HIV agent.
Synonyms	[13C6]-4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-benzonitrile; [13C6]-Rilpivirine; 4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-benzonitrile-13C6
IUPAC Name	4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonitrile
Related CAS	500287-72-9 (unlabelled)
Canonical SMILES	CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N
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+/i5+1,6+1,7+1,8+1,17+1,19+1
InChI Key	YIBOMRUWOWDFLG-NKAXABMESA-N
Purity	>98%