6-(Glutathion-S-Yl)-4-Bromocatechol
[CAS# 92263-88-2]

Identification

• Name: 6-(Glutathion-S-Yl)-4-Bromocatechol
• Synonyms: (2S)-2-Amino-5-[[(1R)-1-[(5-Bromo-2,3-Dihydroxy-Phenyl)Sulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[(5-Bromo-2,3-Dihydroxyphenyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-5-Oxopentano
• Molecular Formula: C₁₆H₂₀BrN₃O₈S
• Molecular Weight: 494.31
• CAS Registry Number: 92263-88-2
• SMILES: [C@H](NC(=O)CC[C@H](N)C(=O)O)(CSC1=C(O)C(=CC(=C1)Br)O)C(=O)NCC(=O)O
• InChI: 1S/C16H20BrN3O8S/c17-7-3-10(21)14(25)11(4-7)29-6-9(15(26)19-5-13(23)24)20-12(22)2-1-8(18)16(27)28/h3-4,8-9,21,25H,1-2,5-6,18H2,(H,19,26)(H,20,22)(H,23,24)(H,27,28)/t8-,9-/m0/s1
• InChIKey: RPPCNELAICWYHU-IUCAKERBSA-N

Properties

• Density: 1.784g/cm³ (Cal.)
• Boiling point: 868.929°C at 760 mmHg (Cal.)
• Flash point: 479.311°C (Cal.)