New Synthetic Drugs Database

2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol

Formula:
C21H27N3O2S
Average mass:
385.522979736 Da
Monoisotopic mass:
385.182403564 Da
InChI:
InChI=1S/C21H27N3O2S/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/h1-8,17,19,25H,9-16H2
InChI key:
LBWRASUUBGIYHA-UHFFFAOYSA-N
SMILES:
OCCOCCN1CCN(CC1)C1=Nc2ccccc2SC2C=CC=CC12

Information

IUPAC name:
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
Alternative names:
quetiapinum, ICI 204,636 Ketipinor, Seroquel, ZM 204,636, Quetiapine
CAS RNs:
111974-69-7

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