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Sertraline Carbamoyl Glucuronide Methyl Ester Triacetate, TRC
Specifications
Specifications
| Chemical Name or Material | Sertraline Carbamoyl Glucuronide Methyl Ester Triacetate |
| Analyte or Component Names | Sertraline Carbamoyl Glucuronide Methyl Ester Triacetate |
| Shipping Condition | Room Temperature |
| Molecular Formula | C31 H33 Cl2 N O11 |
| Synonym | (1S-cis)-1-[[4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methycarbamate]-beta-D-glucopyranuronic Acid Methyl Ester Triacetate, Sertraline Carbamoyl-O-glucuronide Methyl Ester Triacetate |
| InChI Formula | InChI=1S/C31H33Cl2NO11/c1-15(35)41-25-26(42-16(2)36)28(43-17(3)37)30(44-27(25)29(38)40-5)45-31(39)34(4)24-13-11-19(20-8-6-7-9-21(20)24)18-10-12-22(32)23(33)14-18/h6-10,12,14,19,24-28,30H,11,13H2,1-5H3/t19-,24-,25-,26-,27-,28+,30-/m0/s1 |
| Solution Type | Neat |
| SMILES | COC(=O)[C@H]1O[C@@H](OC(=O)N(C)[C@H]2CC[C@@H](c3ccc(Cl)c(Cl)c3)c4ccccc24)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C |
| IUPAC Name | methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxyoxane-2-carboxylate |
| Industry Type | Pharmaceutical |
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