Account (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((2-methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepin-8-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACDEWQ759
- CAS No. :
- 155239-47-7
- Molecular Formula :
- C23H27N3O7
- Molecular Weight :
- 457.48
IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepin-8-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
![(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((2-methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepin-8-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((2-methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepin-8-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepin-8-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C23H27N3O7 |
| Molecular Weight | 457.48 |
| SMILES | O[C@H]([C@H]([C@@H]([C@@H](C(O)=O)O1)O)O)[C@@H]1OC2=CN=C3N4C(CN(C)CC4)C5=CC=CC=C5CC3=C2 |
| InChI Key | DSOPOPYPJYTAKL-IKIJYXEQSA-N |
| Synonym | 8-Hydroxymirtazapine b-D-glucuronide;8-Hydroxy Mirtazapine β-D-Glucuronide 90%;8-Hydroxy Mirtazapine β-D-Glucuronide;β-D-Glucopyranosiduronic acid, 1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-8-yl;Mirtazapine 8-Hydroxy β-D-Glucuronide;8-Hydroxy Mirtazapine Beta-D-Glucuronide 90% |
| CAS No. | 155239-47-7 |
Synthetic Route by SureRoute
2. ACDEWQ759 Molecular Building Block Synthetic Route
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
(1R)-1-[Bis(2-methoxyphenyl)phosphino]-2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]ferrocene
ACDNEY033