![Quetiapine IMpurity P (11-(4-Ethylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine fuMarate)) structure, CAS 1011758-03-4](/structures/180000/176288_1_1011758_03_4.png)
CAS Number1011758-03-4
Synonyms11-(4-Ethyl-1-piperazinyl)-dibenzo[b,f][1,4]thiazepine; 11-(4-Ethyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine; 11-(4-Ethylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
Molecular FormulaC19H21N3S
Molecular Weight441.54
Purity≥98 (HPLC)%
Density1.22±0.1 g/cm3
Boiling Point465.7±55.0 °C at 760 mmHg
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1011758-03-4 |
| Catalog No. | 2A-3175837 |
| Chinese Name | 11-(4-乙基-1-哌嗪基)-二苯并[b,f] [1,4]噻氮平 |
| Synonyms | 11-(4-Ethyl-1-piperazinyl)-dibenzo[b,f][1,4]thiazepine; 11-(4-Ethyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine; 11-(4-Ethylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
| Molecular Formula | C19H21N3S |
| Molecular Weight | 441.54 |
| Purity | ≥98 (HPLC) |
| Density | 1.22±0.1 g/cm3 |
| Boiling Point | 465.7±55.0 °C at 760 mmHg |
| Appearance | powder |
| Water Solubility | Insuluble (5.5E-3 g/L) (25 ºC) |
| PubChem ID | 329823864 |
| MDL Number | MFCD03423782 |
| SMILES | OC(=O)\C=C\C(O)=O.OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24.OCCOCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68 |
| InChI | 1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
| InChI Key | ZTHJULTYCAQOIJ-WXXKFALUSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/176288_1_1011758_03_4.pdf |
| Transport Info | Product name: 11-(4-ethyl-1-piperazinyl)-dibenzo[b,f][1,4]thiazepine |
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