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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N3O3S
Molecular Weight 401.522
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUETIAPINE, OPEN RING-

SMILES

NC1=CC=CC=C1SC2=C(C=CC=C2)C(=O)N3CCN(CCOCCO)CC3

InChI

InChIKey=JPBFGXQLPAVCOY-UHFFFAOYSA-N
InChI=1S/C21H27N3O3S/c22-18-6-2-4-8-20(18)28-19-7-3-1-5-17(19)21(26)24-11-9-23(10-12-24)13-15-27-16-14-25/h1-8,25H,9-16,22H2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
QUETIAPINE, OPEN RING-
Common Name English
QUETIAPINE FUMARATE IMPURITY F [EP IMPURITY]
Common Name English
METHANONE, (2-((2-AMINOPHENYL)THIO)PHENYL)(4-(2-(2-HYDROXYETHOXY)ETHYL)-1-PIPERAZINYL)-
Systematic Name English
(2-((2-AMINOPHENYL)SULFANYL)PHENYL)(4-(2-(2-HYDROXYETHOXY)ETHYL)PIPERAZIN-1-YL)METHANONE
Systematic Name English
Code System Code Type Description
CAS
848814-27-7
Created by admin on Sat Dec 16 11:24:06 GMT 2023 , Edited by admin on Sat Dec 16 11:24:06 GMT 2023
PRIMARY
PUBCHEM
11338588
Created by admin on Sat Dec 16 11:24:06 GMT 2023 , Edited by admin on Sat Dec 16 11:24:06 GMT 2023
PRIMARY
FDA UNII
DKL8NTR9Y4
Created by admin on Sat Dec 16 11:24:06 GMT 2023 , Edited by admin on Sat Dec 16 11:24:06 GMT 2023
PRIMARY
NIH
NCATS
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