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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
Molecular Formula C21H25N3O2S
Molecular Weight 383.507
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:15:58 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:58 UTC 2023
Record UNII
2S3PL1B6UJ
Record Status Validated (UNII)
Record Version
  • Download
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
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IMPURITY -> PARENT
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Structure of DE(SULFUR) QUETIAPINE
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IMPURITY -> PARENT
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