CAS: 131119-04-5 - 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANYL ALPHA-D-GLUCURONIDE

Formula: C₁₆H₂₃N₃O₈

InChI: InChI=1S/C16H23N3O8/c1-19(18-25)7-3-5-10(9-4-2-6-17-8-9)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2,4,6,8,10-14,16,20-22H,3,5,7H2,1H3,(H,23,24)/t10?,11-,12-,13+,14-,16+/m0/s1

InChI key: InChIKey=KNPUXTWHFSLCDT-BBYIEOQPSA-N

SMILES: O=NN(C)CCCC(OC1OC(C(=O)O)C(O)C(O)C1O)C=2C=NC=CC2

Synonyms:

• 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
• 4-(Methylnitrosoamino)-1-(3-pyridinyl)butyl β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid
• 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butyl beta-D-glucopyranosiduronic acid
• NNAL-glucuronide
• [4-(Methylnitrosamino)-1-(3-pyridyl)but-1-yl] β-O-<span class="text-smallcaps">D</span>-glucosiduronic acid
• beta-D-Glucopyranosiduronic acid, 4-(methylnitrosoamino)-1-(3-pyridinyl)butyl
• β-<span class="text-smallcaps">D</span>-Glucopyranosiduronic acid, 4-(methylnitrosoamino)-1-(3-pyridinyl)butyl

4-(Methyl-D3-nitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide

CAS: 131119-04-5

NNAL-β-O-glucuronide

CAS: 131119-04-5

• Formula: C₁₆H₂₃N₃O₈
• Molecular weight: 385.37

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-d5 O-Beta-D-Glucuronide (Major) (Mixture of Diastereomers)

CAS: 131119-04-5

• Formula: C₁₆H₁₈D₅N₃O₈
• Color and Shape: White Solid
• Molecular weight: 390.4

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol O-b-D-Glucuronide Sodium Salt(Mixture of Diastereomers) (>90%)

CAS: 131119-04-5

• Formula: C₁₆H₂₂N₃O₉·Na
• Purity: >90%
• Color and Shape: White To Dark Orange
• Molecular weight: 423.35

4-(Methyl-D3-nitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide

CAS: 131119-04-5

4-(Methyl-D3-nitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide is a metabolite of the antihypertensive drug methyldopa. It is excreted in urine and …

• Formula: C₁₆H₂₁D₃N₃O₈
• Purity: Min. 95%
• Molecular weight: 389.39 g/mol