Account (2S,3S,4S,5R,6S)-6-((((1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)(methyl)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACDOTG804
- CAS No. :
- 119733-44-7
- Molecular Formula :
- C24H25Cl2NO8
- Molecular Weight :
- 526.37
IUPAC Name:(2S,3S,4S,5R,6S)-6-((((1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)(methyl)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-6-((((1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)(methyl)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-6-((((1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)(methyl)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C24H25Cl2NO8 |
| Molecular Weight | 526.37 |
| SMILES | ClC1=C(Cl)C=CC([C@@H](C2=CC=CC=C23)CC[C@@H]3N(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=O)C)=C1 |
| InChI Key | IFPBIAXQORQOIY-BQOQXNJCSA-N |
| Synonym | (1S-cis)-1-[[4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methycarbamate]-b-D-glucopyranuronic Acid;Sertraline Carbamoyl Glucuronide;Sertraline Carbamoyl-O-glucuronid;sertraline carbamoyl-O-glucuronide;(1S-cis)-1-[[4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methycarbamate]--D-glucopyranuronic Acid;β-D-Glucopyranuronic acid, 1-[[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methylcarbamate], (1S-cis)- (9CI);Sertraline carbamoyl-β-D-glucuronide;β-D-Glucopyranuronic acid, 1-[[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methylcarbamate], (1S-cis)- (9CI) |
| CAS No. | 119733-44-7 |
Synthetic Route by SureRoute
2. ACDOTG804 Molecular Building Block Synthetic Route
(9H-fluoren-9-yl)methyl (4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)(methyl)carbamate
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(3R,4R,5R,6R)-3,4,5-trihydroxy-6-((((R)-4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid