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)

• 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

• CAS Number:

  146275-15-2