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Bosentan-[13C6]

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General Information
Catalog: BLP-002088
Molecular Formula: C21[13C]6H29N5O6S
Molecular Weight: 557.57

Chemical Structure

Description	Bosentan-[13C6], is the labelled analogue of Bosentan. Bosentan is a dual endothelin receptor antagonist medication used in the treatment of pulmonary artery hypertension.
Synonyms	Bosentan 13C6
IUPAC Name	4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
Related CAS	147536-97-8 (unlabelled)
Canonical SMILES	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
InChI	InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)/i10+1,11+1,12+1,13+1,18+1,19+1
InChI Key	GJPICJJJRGTNOD-AUGRNHFJSA-N
Boiling Point	742.3ºC at 760 mmHg
Melting Point	171-175 °C(lit.)
Purity	> 98%
Density	1.326 g/cm3
Appearance	Light yellow to Off-white Solid
Storage	Store at -20°C