U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 2C21H25N3O2S.C4H4O4
Molecular Weight 883.086
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of QUETIAPINE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.OCCOCCN1CCN(CC1)C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3.OCCOCCN5CCN(CC5)C6=NC7=C(SC8=C6C=CC=C8)C=CC=C7

InChI

InChIKey=ZTHJULTYCAQOIJ-WXXKFALUSA-N
InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(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/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
QUETIAPINE FUMARATE
JAN   MART.   ORANGE BOOK   USAN   USP-RS   VANDF   WHO-DD  
USAN  
Official Name English
Quetiapine fumarate [WHO-DD]
Common Name English
UTAPINE
Brand Name English
ZM 204,636
Code English
SEROQUEL
Brand Name English
ETHANOL, 2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY)-, (E)-2-BUTENEDIOATE (2:1)
Common Name English
ZD5077
Code English
ICI 204,636
Code English
FK947E
Code English
ZD-5077
Code English
QUETIAPINE (AS FUMARATE)
Common Name English
FK-947E
Code English
QUETIAPINE FUMARATE [ORANGE BOOK]
Common Name English
QUETIAPINE FUMARATE [USP-RS]
Common Name English
ZM-204636
Code English
QUETIAPINE FUMARATE [USAN]
Common Name English
QUETIAPINE FUMARATE [MART.]
Common Name English
QUETIAPINE HEMIFUMARATE
MI  
Common Name English
QUETIAPINE FUMARATE [EP MONOGRAPH]
Common Name English
ICI-204636
Code English
QUETIAPINE FUMARATE [VANDF]
Common Name English
QUETIAPINE HEMIFUMARATE [MI]
Common Name English
QUETIAPINE FUMARATE [JAN]
Common Name English
2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY)ETHANOL FUMARATE (2:1)
Common Name English
QUETIAPINE FUMARATE [USP MONOGRAPH]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29710
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
NCI_THESAURUS C66885
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
Code System Code Type Description
CAS
111974-72-2
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
CHEBI
8708
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
SMS_ID
100000091312
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
MERCK INDEX
m9425
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C47700
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
ChEMBL
CHEMBL716
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
PUBCHEM
5281025
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
USAN
HH-80
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
DAILYMED
2S3PL1B6UJ
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
EVMPD
SUB56025
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
RS_ITEM_NUM
1592704
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
DRUG BANK
DBSALT002790
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID3044201
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
RXCUI
221153
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY RxNorm
FDA UNII
2S3PL1B6UJ
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
EVMPD
SUB15074MIG
Created by admin on Fri Dec 15 16:15:58 UTC 2023 , Edited by admin on Fri Dec 15 16:15:58 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of QUETIAPINE
PARENT (SALT/SOLVATE)
Structure of Fumaric acid
SUBSTANCE RECORD
Structure of QUETIAPINE FUMARATE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966