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219965-90-9

219965-90-9 Structure

219965-90-9 Structure
IdentificationBack Directory
[Name]

S-(2,3,4-Trihydroxybutyl)mercapturic Acid
[CAS]

219965-90-9
[Synonyms]

N-Acetyl-S-(2,3,4-trihydroxybutyl)-
S-(2,3,4-Trihydroxybutyl)mercapturic Acid
N-Acetyl-S-(2,3,4-trihydroxybutyl)-L-cysteine
L-Cysteine, N-acetyl-S-(2,3,4-trihydroxybutyl)-
S-(2,3,4-Trihydroxybutyl)mercapturic Acid (Mixture of Diatstereomers)
[Molecular Formula]

C9H17NO6S
[MDL Number]

MFCD18252445
[MOL File]

219965-90-9.mol
[Molecular Weight]

267.3
Chemical PropertiesBack Directory
[Boiling point ]

689.9±55.0 °C(Predicted)
[density ]

1.442±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

3.30±0.10(Predicted)
[color ]

Colorless
Hazard InformationBack Directory
[Chemical Properties]

Colorless Oil
[Uses]

A metabolite of butadiene and butadiene monoepoxide; relevance to cancer susceptibility.
[Definition]

ChEBI: S-(2,3,4-trihydroxybutyl)mercapturic acid is a N-acyl-amino acid.
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