Account Quetiapine (hemifumarate)
- Catalog No. :
- ACWHQR743
- CAS No. :
- 111974-72-2
- Molecular Formula :
- C46H54N6O8S2
- Molecular Weight :
- 883.11
IUPAC Name:2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol hemifumarate
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Product Information
| Product Name | Quetiapine (hemifumarate) |
|---|---|
| IUPAC Name | 2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol hemifumarate |
| MDL No. | MFCD03423782 |
| Molecular Formula | C46H54N6O8S2 |
| Molecular Weight | 883.11 |
| SMILES | O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=NC3=CC=CC=C3SC3=CC=CC=C23)CC1.OCCOCCN1CCN(C2=NC3=CC=CC=C3SC3=CC=CC=C23)CC1 |
| InChI Key | ZTHJULTYCAQOIJ-WXXKFALUSA-N |
| Synonym | QUETIAPINE FUMARATE [VANDF] | 2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY)ETHANOL FUMARATE (2:1) | HB1803 | QuetiapineExtended Release | ZM 204,636 | AC-4236 | bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,1 |
| CAS No. | 111974-72-2 |
| PubChem CID | 5281025 |
Synthetic Route by SureRoute
2. ACWHQR743 Molecular Building Block Synthetic Route
2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol
1,2-bis(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethane
1,2-bis(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethane tetrahydrochloride