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Darusentan-[13C6]

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General Information
Catalog: BLP-002442
CAS: 1261365-22-3
Molecular Formula: C16[13C]6H22N2O6
Molecular Weight: 416.38

Chemical Structure

Description	Darusentan-[13C6], is the labelled analogue of Darusentan. Darusentan is an endothelin receptor antagonist.
Synonyms	Darusentan 13C6
IUPAC Name	(2S)-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenylpropanoic 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/i4+1,6+1,7+1,10+1,11+1,15+1/t19-,22?
InChI Key	FEJVSJIALLTFRP-SGODOLICSA-N