QUETIAPINE FUMARATE ,111974-72-2 _Chemical Cloud Database

QUETIAPINE FUMARATE

Basic Information
Product Name：	QUETIAPINE FUMARATE
CAS：	111974-72-2
English Synonyms：	2-[2-(4-DIBENZO[B,F][1,4]THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY]ETHANOL HEMIFUMARATE ; KETIPINOR FUMARATE (2:1) SALT ; 2-[2-(4-DIBENZO[B,F][1,4]THIAZEPIN-11-YL-PIPERAZIN-1-YL)-ETHOXY]-ETHANOL (E)-BUT-2-ENEDIOATE ; 2-(2-(4-DIBENZO[B,F][1,4]THIAZEPINE-11-YL-1-PIPERAZINYL)ETHOXY)ETHANOL FUMARATE (2:1) SALT ; 2-(2-(4-(DIBENZO[B,F][1,4]THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHOXY)ETHANOL HEMIFUMARATE ; QUETIAPINE HEMIFUMARATE ; ICI 204,636 HEMIFUMARATE ; QUETIAPINE HEMIFUMARATE SALT ; QUETIAPINE FUMARATE ; QUETIAPINE FUMARATE, 99+% ; ETHANOL, 2-[2-(4-DIBENZO[B,F][1,4]THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY]-, (2E)-2-BUTENEDIOATE (2:1) ; SEROQUEL FUMARATE (2:1) SALT
MDL Number.：	MFCD03423782
H bond acceptor：	5
H bond donor：	1
Smile：	c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)CCOCCO.c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)CCOCCO.C(=C/C(=O)O)\C(=O)O
InChi：	InChI=1S/2C21H25N3O2S.C4H4O4/c225-14-16-26-15-13-23-9-11-24(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/h21-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChiKey：	InChIKey=ZTHJULTYCAQOIJ-WXXKFALUSA-N
Property
Melting Point：	174-176°C
Safety information
Symbol：	GHS07 GHS09
Signal word：	Warning
Hazard statements：	H302-H400
Precautionary statements：	P273
hazard symbol：	Xn,N
Risk Code：	R:22-50/53
Safe Code：	S:60-61
WGK Germany：	3
Flash point：	48.2？°F

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