Account 3,4,5-trihydroxy-6-(3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate
- Catalog No. :
- ACIXLD686
- CAS No. :
- 329002-74-6
- Molecular Formula :
- C16H22N2O6
- Molecular Weight :
- 338.36
IUPAC Name:3,4,5-trihydroxy-6-(3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate
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Product Information
| Product Name | 3,4,5-trihydroxy-6-(3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate |
|---|---|
| IUPAC Name | 3,4,5-trihydroxy-6-(3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate |
| Molecular Formula | C16H22N2O6 |
| Molecular Weight | 338.36 |
| SMILES | CN1CCCC1C1=C[N+](C2OC(C(=O)[O-])C(O)C(O)C2O)=CC=C1 |
| InChI Key | SAWAIULJDYFLPD-UHFFFAOYSA-N |
| Synonym | Nicotine-N--glucuronide, Methyl-d3;(S)-1-β-D-Glucopyranuronosyl-3-[1-(Methyl-d3)-2-pyrrolidinyl]pyridiniuM Inner Salt;1-β-D-Glucopyranuronosyl-3-[(2S)-1-(Methyl-d3)-2-pyrrolidinyl]pyridiniuM Inner Salt;NIC GLUC-d3;Nicotine-d3 N-β-D-Glucuronide;NNG-d3;Nicotine-d3 N-β-Glucuronide;Nicotine-N-b-D-glucuronide methyl-D3 |
| CAS No. | 329002-74-6 |
Synthetic Route by SureRoute
2. ACIXLD686 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(3-((S)-1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(3-((S)-1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(3-((S)-1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate