MITOTOX

Drug

D0462 | quetiapine

Properties

Molecular Formula	C21H25N3O2S
Molecular Weight	383.5
Structure
State	solid
Volume of distribution	* 10±4 L/kg
Route of elimination	Elimination of quetiapine is mainly via hepatic metabolism. Following a single oral dose of 14C-quetiapine, less than 1% of the administered dose was excreted as unchanged drug, indicating that quetiapine is highly metabolized. Approximately 73% and 20% of the dose was recovered in the urine and feces, respectively.
Protein binding	0.83
Half life	6 hours
Absorption	Rapidly and well absorbed.

Therapeutic Classification Source: DrugBank

N05AH04 Quetiapine

[N05AH] Diazepines, oxazepines, thiazepines and oxepines

[N05A] ANTIPSYCHOTICS

[N05] PSYCHOLEPTICS

[N] Nervous system

Mitochondrial Toxicity Evaulation

Toxicity	Dose	Time	Species	Model	Method	Action	Positive criterion	Reference
ELECTRON TRANSPORT CHAIN			rat	isolated liver mitochondria		decrease		23

Targets

Target	Dose	Time	Species	Model	Method	Action	Positive criterion	Reference
NADH:ubiquinone reductase			rat	isolated liver mitochondria		inhibitor		23

GHS Hazard Tables Source: PubChem

Pictogram	Signal	Statements	Precautionary Statement Codes
	Danger	Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure Respiratory tract irritation] H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.	P261, P264, P270, P271, P273, P280, P301+P312, P304+P340, P305+P351+P338, P310, P312, P330, P391, P403+P233, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
	Danger	H225: Highly Flammable liquid and vapor [Danger Flammable liquids] H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure] H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P307+P311, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)

Pictogram

Signal

Statements

Precautionary Statement Codes

Danger

Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure

Respiratory tract irritation]

H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

P261, P264, P270, P271, P273, P280, P301+P312, P304+P340, P305+P351+P338, P310, P312, P330, P391, P403+P233, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

H301: Toxic if swallowed [Danger Acute toxicity, oral]

H311: Toxic in contact with skin [Danger Acute toxicity, dermal]

H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]

H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P307+P311, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)

Indications Source: SIDER

Synonyms Source: PubChem

(E)-2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol	11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine	111974-69-7
2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol	2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol	2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
2-(2-(4-dibenzo[b,f]-[1,4]thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol	2-(2-(4-dibenzo[b,f][1,4] thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol	2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol	2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol	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
2-{2-[4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethoxy}ethanol	2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol	4769-EP2272537A2
4769-EP2272841A1	4769-EP2275420A1	4769-EP2298731A1
4769-EP2301936A1	4769-EP2308867A2	4769-EP2308870A2
74Q697	AB00640033-09	AB00640033-10
AB00640033_11	AB00640033_12	AKOS003588973
API0004010	AS-35258	BBL029071
BCP23508	BDBM50095890	BGL0JSY5SI
BIDD:GT0279	BRD-K68867920-001-05-2	C07397
C21H25N3O2S	CAS-111974-69-7	CCG-213347
CHEBI:8707	CHEMBL716	CS-1171
CTK8F1296	Co-Quetiapine	D08456
DB01224	DSSTox_CID_3546	DSSTox_GSID_23546
DSSTox_RID_77073	DTXSID9023546	ETH065
Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-	Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-	FK949E
FT-0658790	GTPL50	HMS2093K06
HMS2231O11	HMS3372B05	HMS3744E21
HSDB 7557	HY-14544	InChI=1/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;
L001200	LS-172170	M872
MLS001165710	MLS001195658	MRF-0000010
NCGC00095911-01	NCGC00095911-03	NCGC00095911-04
NCGC00095911-06	NSC-758918	NSC758918
Norsic (TN)	Pharmakon1600-01505187	Q408535
Quetiapin	Quetiapine (INN)	Quetiapine [INN:BAN]
Quetiapine fumarate	RT-015180	SBI-0206776.P001
SC-19077	SCHEMBL7932	SMR000550491
SPECTRUM1505187	SR-01000759335	SR-01000759335-5
SR-01000759335-7	STL373578	Seroquel
Seroquel (Fumarate)	Tox21_111537	Tox21_111537_1
UNII-BGL0JSY5SI	URKOMYMAXPYINW-UHFFFAOYSA-	URKOMYMAXPYINW-UHFFFAOYSA-N
W-5151	ZINC19632628	ZM-204636
quetiapina	quetiapine	quetiapinum
s5741

External IDs

DrugBank Name	quetiapine
DrugBank	DB01224
CAS Number	1031703-35-1, 111974-69-7, 111974-72-2
PubChem Compound	5002
KEGG Compound ID	C07397
KEGG Drug	D08456
ChEBI	8707
PharmGKB	PA451201