QUETIAPINE ,111974-72-2 _Chemical Cloud Database

QUETIAPINE

Basic Information
Product Name：	QUETIAPINE
CAS：	111974-72-2 ;111974-69-7
English Synonyms：	2-[2-(4-(2-THIA-9-AZATRICYCLO[9.4.0.0(3,8)]PENTADECA-1(11),3(8),4,6,9,12,14-HEPTAEN-10-YL)PIPERAZIN-1-YL)ETHOXY]ETHAN-1-OL ; QUETIAPINE (FUMARATE) ; QUETIAPINE ; 2-[2-(4-DIBENZO[B,F][1,4]THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY]-ETHANOL ; ETHANOL, 2-[2-(4-DIBENZO[B,F][1,4]THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY]- ; 2-(2-(4-(DIBENZO[B,F][1,4]THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHOXY)ETHANOL
MDL Number.：	MFCD00866699
H bond acceptor：	5
H bond donor：	1
Smile：	c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)CCOCCO
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：	InChIKey=URKOMYMAXPYINW-UHFFFAOYSA-N
Property
Safety information
WGK Germany：	3

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