Cotinine N-(4-Deoxy-4,5-didehydro)-Beta-D-glucuronide

Cotinine N-(4-Deoxy-4,5-didehydro)-Beta-D-glucuronide

• Synonyms: Cotinine N-(4-Deoxy-4,5-didehydro)-β-D-glucuronide; Pyridinium, 1-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)- (9CI)
• CAS Number: 146275-15-2
• Hazard Statement: Causes skin irritation.
• Smiles: CN1C[C@@H](CC1=O)c2ccc[n+](c2)[C@@H]3OC(=C[C@H](O)[C@H]3O)C(=O)[O-]
• Molecular Formula: C16 H18 N2 O6
• Molecular Weight: 334.32
• InChI: InChI=1S/C16H18N2O6/c1-17-7-10(5-13(17)20)9-3-2-4-18(8-9)15-14(21)11(19)6-12(24-15)16(22)23/h2-4,6,8,10-11,14-15,19,21H,5,7H2,1H3/t10-,11+,14-,15-/m1/s1
• Additionnal Information: IUPAC name: (2R,3R,4S)-3,4-dihydroxy-2-[3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C