β-S-(4-Methoxybenzylmercapto)isovaleric acid
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β-S-(4-Methoxybenzylmercapto)isovaleric acid

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β-S-(4-Methoxybenzylmercapto)isovaleric acid is a derivative of D-Penicillamine, which is a penicillin metabolite used in the treatment of Wilson's disease, Cystinuria, Scleroderma and arsenic poisoning.

Category
Others
Catalog number
BAT-004752
CAS number
268219-99-4
Molecular Formula
C13H18O3S
Molecular Weight
254.35
β-S-(4-Methoxybenzylmercapto)isovaleric acid
IUPAC Name
3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoic acid
Synonyms
3-[[(4-Methoxyphenyl)methyl]thio]-3-methylbutanoic Acid; 3-[(4-Methoxybenzyl)sulfanyl]-3-methylbutanoic acid; S-(4-Methoxybenzyl)-deamino-penicillamine; Butanoic acid, 3-[[(4-methoxyphenyl)methyl]thio]-3-methyl-
Appearance
White powder
Purity
≥95%
Density
1.151±0.1 g/cm3
Melting Point
78-82°C
Boiling Point
401.1±30.0°C at 760 mmHg
Storage
Store at 2-8°C
InChI
InChI=1S/C13H18O3S/c1-13(2,8-12(14)15)17-9-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChI Key
VLSLXZFZXHZCHI-UHFFFAOYSA-N
Canonical SMILES
CC(C)(CC(=O)O)SCC1=CC=C(C=C1)OC
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