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Selexipag metabolite ACT-333679-[d7]

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General Information
Catalog: BLP-004217
CAS: 1265295-20-2
Molecular Formula: C25H22D7N3O3
Molecular Weight: 426.57

Chemical Structure

Description	Labelled Selexipag metabolite ACT 333679. Selexipag metabolite ACT 333679 (MRE-269) is an orally available and long-acting prostacyclin receptor agonist prodrug used for the treatment of pulmonary arterial hypertension.
Synonyms	2-{4-[(5,6-diphenylpyrazin-2-yl)[(1,1,1,2,3,3,3-D7)propan-2-yl]amino]butoxy}acetic acid
IUPAC Name	2-[4-[(5,6-diphenylpyrazin-2-yl)-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)amino]butoxy]acetic acid
Related CAS	475085-57-5 (unlabelled)
Canonical SMILES	CC(C)N(CCCCOCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI	InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)/i1D3,2D3,19D
InChI Key	OJQMKCBWYCWFPU-HXAWLNHQSA-N
Purity	>98%