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quetiapine fumarate

PropertiesImageOccurences in reactions
MNX_IDMNXM160730Image of MNXM160730
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC46H54N6O8S2
charge0
mass882.34445
referencechebi:8708
InChIKeyZTHJULTYCAQOIJ-WXXKFALUSA-N
InChIInChI=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+
SMILESO=C([O-])/C=C/C(=O)[O-].OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.[H+].[H+]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:8708
chebi:8708
quetiapine fumarate
2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol fumarate (2:1) (salt)
Seroquel
bis{2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol} (2E)-but-2-enedioate
kegg.drug:D00458
keggD:D00458
Quetiapine fumarate (JP18/USP)
Seroquel (TN)
keggD:M_D00458 secondary/obsolete/fantasy identifier