NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid
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IUPAC Traditional name
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(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid
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depen
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Synonyms
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D-Penicillamine
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Depen
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Distamine
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D-Mercaptovaline
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D-Penamine
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Kuprenil
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Penicillamine (Cuprimine)
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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2.555553
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H Acceptors
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3
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H Donor
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3
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LogD (pH = 5.5)
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-2.1465738
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LogD (pH = 7.4)
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-2.1542492
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Log P
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-2.1465182
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Molar Refractivity
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37.225 cm3
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Polarizability
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15.067698 Å3
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Polar Surface Area
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63.32 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
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- • Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 1, 892B; 1282C, (nmr)
- • Sadtler Standard NMR Spectra, 2305, (pmr)
- • Ss, O., Annalen, 1948, 559, 92, (synth)
- • Ruiz-Torres, Arzneim.-Forsch., 1974, 24, 914, (pharmacol, metab)
- • Rosenfield, R.E. et al., Acta Cryst. B, 1975, 31, 462, (cryst struct, abs config)
- • Weigert, W.M. et al., Angew. Chem., Int. Ed., 1975, 14, 330, (rev)
- • Parrett, D., Proc. R. Soc. Med., 1977, 70, 61, (metab)
- • Jaffe, I.A., Pharmacol. Biochem. Prop. Drug Subst., 1979, 1, 465, (rev, pharmacol)
- • Chiu, C.C. et al., Anal. Profiles Drug Subst., 1981, 10, 601, (rev, synth, prop, tox, pharmacol)
- • Parrett, D. et al., J. Rheumatol. Suppl., 1981, 7, 28, (rev)
- • Scheinberg, I.H. et al., Wilson's Disease, W.B. Saunders, 1984, 126, (use, pharmacol)
- • Busker, E. et al., J. Chromatogr., 1985, 350, 179, (sepn)
- • Nether, P. et al., Clin. Pharmacokinet., 1987, 13, 317, (pharmacol)
- • Wolf-Heuss, E.M., Methods Enzymol., 1987, 143, 186, (rev, detn)
- • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 346
- • Ogawa, T. et al., Chem. Pharm. Bull., 1988, 36, 1957; 1989, 37, 1609, (synth)
- • Van der Korst, J.K. et al., Inflammatory Dis. Ther., 1992, 9, 203, (rev)
- • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 688
- • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, MCR750; PAP500; PAP550
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PATENTS
PATENTS
PubChem Patent
Google Patent