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Probucol-(propyl-[13C3])

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General Information
Catalog: BLP-001197
CAS: 1173019-29-8
Molecular Formula: C28[13C]3H48O2S2
Molecular Weight: 519.82

Chemical Structure

Description	Probucol-(propyl-[13C3]) is a labelled analogue of Probucol which can enhance selective uptake of HDL-associated cholesteryl esters.
Synonyms	Probucol-[13C3]
IUPAC Name	2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl(1,2,3-13C3)propan-2-ylsulfanyl]phenol
Related CAS	23288-49-5 (unlabelled)
Canonical SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI	InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
InChI Key	FYPMFJGVHOHGLL-DGVNISHSSA-N
Purity	98% by CP; 99% atom 13C
Density	1.1±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid
Storage	−20°C