Account 3-((2S,4R)-4-(Benzoyloxy)-1-methyl-5-oxopyrrolidin-2-yl)-1-((2S,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)pyridin-1-ium bromide
- Catalog No. :
- ACGHJX603
- CAS No. :
- 146490-58-6
- Molecular Formula :
- C30H33BrN2O12
- Molecular Weight :
- 693.5
IUPAC Name:3-((2S,4R)-4-(benzoyloxy)-1-methyl-5-oxopyrrolidin-2-yl)-1-((2S,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)pyridin-1-ium bromide
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Product Information
| Product Name | 3-((2S,4R)-4-(Benzoyloxy)-1-methyl-5-oxopyrrolidin-2-yl)-1-((2S,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)pyridin-1-ium bromide |
|---|---|
| IUPAC Name | 3-((2S,4R)-4-(benzoyloxy)-1-methyl-5-oxopyrrolidin-2-yl)-1-((2S,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)pyridin-1-ium bromide |
| MDL No. | MFCD31562888 |
| Molecular Formula | C30H33BrN2O12 |
| Molecular Weight | 693.5 |
| SMILES | O=C([C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]([N+]2=CC=CC([C@H](C[C@H]3OC(C4=CC=CC=C4)=O)N(C)C3=O)=C2)O1)OC.[Br-] |
| InChI Key | AFPUKFPHPAWMEP-QQVAJBBCSA-M |
| Synonym | trans-3'-Benzoyloxy Cotinine 2,3,4-Tri-O-acetyl-N-β-D-glucuronide Methyl Ester BroMide;(2S-trans)-3-[4-(Benzoyloxy)-1-Methyl-5-oxo-2-pyrrolidinyl]-1-(2,3,4-tri-O-acetyl-6-Methyl-β-D-glucopyranuronosyl)-pyridiniuM BroMide;trans-3'-Benzoyloxy cotinine 2,3,4-tri-O-acetyl-N-b-D-glucuronide methyl ester bromide |
| CAS No. | 146490-58-6 |
Synthetic Route by SureRoute
2. ACGHJX603 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(3-((2S,4R)-4-hydroxy-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-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-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate