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Quetiapine Fumarate (CAS NO : 111974-72-2)

Quetiapine Fumarate
Quetiapine Fumarate

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Intersect 1
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Chemical Properties & Specifications

Identifiers of Quetiapine Fumarate

Canonical Smiles
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O
Inchi Key
ZTHJULTYCAQOIJ-WXXKFALUSA-N
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+
CAS Number
111974-72-2
Molecular Formula
C46H54N6O8S2
IUPAC
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid

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