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188849-82-3

188849-82-3 Structure

188849-82-3 Structure
IdentificationBack Directory
[Name]

N-(2-Deoxy-α,β-D-glucopyranosyl)-S-nitroso-N-acetyl-D,L-penicillamine
[CAS]

188849-82-3
[Synonyms]

Crisaborole Impurity 91
N-(2-Deoxy-α,β-D-glucopyranosyl)-S-nitroso-N-acetyl-D,L-penicillamine
2-[[2-(AcetylaMino)-3-Methyl-3-(nitrosothio)-1-oxobutyl]aMino]-2-deoxy-D-glucose
D-Glucose, 2-[[2-(acetylamino)-3-methyl-3-(nitrosothio)-1-oxobutyl]amino]-2-deoxy-
[Molecular Formula]

C13H23N3O8S
[MDL Number]

MFCD01074981
[MOL File]

188849-82-3.mol
[Molecular Weight]

381.4
Chemical PropertiesBack Directory
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Methanol, Water
[form ]

Solid
[pka]

12.31±0.46(Predicted)
[color ]

Green
[Water Solubility ]

aqueous buffer: >100mg/mL
methanol: soluble
water: soluble
[InChI]

1S/C13H23N3O8S/c1-5(18)14-10(13(2,3)25-16-23)11(21)15-7-9(20)8(19)6(4-17)24-12(7)22/h6-10,12,17,19-20,22H,4H2,1-3H3,(H,14,18)(H,15,21)
[InChIKey]

MPJKBQQBYUJGPA-UHFFFAOYSA-N
[SMILES]

CC(=O)NC(C(=O)NC1C(C(C(OC1O)CO)O)O)C(C)(C)SN=O
Safety DataBack Directory
[WGK Germany ]

WGK 1
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Green Solid
[Uses]

Highly water soluble nitric oxide donor, which is relatively stable at high pH (pH 8-9).
[Biological Activity]

Cell permeable: no''Primary Target
Water-soluble nitric oxide (NO) donor''Product does not compete with ATP.''Reversible: no
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