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Quetiapine
SpectraBase Compound ID 9UhTCpgtNqy
InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChIKey URKOMYMAXPYINW-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C21H25N3O2S
Exact Mass 383.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ajyfqrRR0U
Name 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
Alternate Name(s) 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazino)ethoxy]ethanol 2-[2-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinyl]ethoxy]ethanol Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]- Quetiapine Seroquel Seroquel (fumarate) ZM 204,636 ZD5077
CAS Registry Number 111974-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O2S
InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChIKey URKOMYMAXPYINW-UHFFFAOYSA-N
Molecular Weight 383.510 g/mol
SMILES OCCOCCN1CCN(C2=Nc3c(cccc3)Sc3c2cccc3)CC1
SPLASH splash10-03dr-3391000000-10a13a46d65816e52201
Wiley ID 1509819