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Darusentan-[13C,d3]

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General Information
Catalog: BLP-002443
CAS: 1261392-44-2
Molecular Formula: C21[13C]H19D3N2O6
Molecular Weight: 414.43

Chemical Structure

Description	Darusentan-[13C,d3], is the labelled analogue of Darusentan. Darusentan is an endothelin receptor antagonist.
Synonyms	Darusentan 13CD3; [13C,2H3]-(alphaS)-alpha-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]-beta-methoxy-beta-phenyl-benzenepropanoic acid
IUPAC Name	(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenyl-3-(trideuterio(1-13C)methoxy)propanoic acid
Related CAS	171714-84-4 (unlabelled)
Canonical SMILES	COC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC
InChI	InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1/i3+1D3
InChI Key	FEJVSJIALLTFRP-HUCRMOQGSA-N