loading...| Preferred Name |
quetiapine fumarate |
|
| Synonyms |
bis{2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol} (2E)-but-2-enedioate 2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol fumarate (2:1) (salt) Seroquel |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8708 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB01224 KEGG:D00458 CAS:111974-72-2 |
|
| formula |
(C21H25N3O2S)2.C4H4O4 |
|
| has part | ||
| has_exact_synonym |
bis{2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol} (2E)-but-2-enedioate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol fumarate (2:1) (salt) Seroquel |
|
| id |
CHEBI:8708 |
|
| in_subset | ||
| 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 |
|
| label |
quetiapine fumarate |
|
| mass |
883.08860 |
|
| monoisotopicmass |
882.34446 |
|
| notation |
CHEBI:8708 |
|
| prefLabel |
quetiapine fumarate |
|
| smiles |
[H+].[H+].[O-]C(=O)\C=C\C([O-])=O.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |
|
| treeView | ||
| subClassOf |