CAS: 111974-72-2 | Quetiapine fumarate, NX79650
SKU: NX79650-500MG
Product Identifiers
Catalog # | NX79650 |
CAS Number | 111974-72-2 |
PubChem CID | 5281025 |
Chemical Name | Quetiapine fumarate |
IUPAC Name | 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid |
InChI | 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+ |
InChIKey | ZTHJULTYCAQOIJ-WXXKFALUSA-N |
SMILES | C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O |
MDL Number | MFCD03423782 |
Specification
MW | 441.54 |
MF | C21H25N3O2S á 0.5C4H4O4 |
Product Notes | +4¡C |
Cat Number | GP9577 |
Manufacturer | Glentham Life Sciences |
Country of Origin | United Kingdom |