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Details

Stereochemistry ACHIRAL
Molecular Formula C40H39N3O2S
Molecular Weight 625.822
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-TRIPHENYLMETHYL QUETIAPINE

SMILES

C(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OCCN4CCN(CC4)C5=NC6=C(SC7=C5C=CC=C7)C=CC=C6

InChI

InChIKey=WQIGEAROXHRMLY-UHFFFAOYSA-N
InChI=1S/C40H39N3O2S/c1-4-14-32(15-5-1)40(33-16-6-2-7-17-33,34-18-8-3-9-19-34)45-31-30-44-29-28-42-24-26-43(27-25-42)39-35-20-10-12-22-37(35)46-38-23-13-11-21-36(38)41-39/h1-23H,24-31H2

HIDE SMILES / InChI

Molecular Formula C40H39N3O2S
Molecular Weight 625.822
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:39:44 UTC 2023
Edited
by admin
on Sat Dec 16 10:39:44 UTC 2023
Record UNII
S1MK0J6LHQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-TRIPHENYLMETHYL QUETIAPINE
Common Name English
11-(4-(2-(2-(TRIPHENYLMETHOXY)ETHOXY)ETHYL)-1-PIPERAZINYL)DIBENZO(B,F)(1,4)THIAZEPINE
Systematic Name English
11-(4-(2-(2-(TRIPHENYLMETHOXY)ETHOXY)ETHYL)PIPERAZIN-1-YL)DIBENZO(B,F)(1,4)THIAZEPINE
Systematic Name English
O-TRIPHENYLMETHOXY QUETIAPINE
Common Name English
QUETIAPINE FUMARATE IMPURITY O [EP IMPURITY]
Common Name English
DIBENZO(B,F)(1,4)THIAZEPINE, 11-(4-(2-(2-(TRIPHENYLMETHOXY)ETHOXY)ETHYL)-1-PIPERAZINYL)-
Systematic Name English
Code System Code Type Description
CAS
844639-06-1
Created by admin on Sat Dec 16 10:39:45 UTC 2023 , Edited by admin on Sat Dec 16 10:39:45 UTC 2023
PRIMARY
PUBCHEM
91757608
Created by admin on Sat Dec 16 10:39:45 UTC 2023 , Edited by admin on Sat Dec 16 10:39:45 UTC 2023
PRIMARY
FDA UNII
S1MK0J6LHQ
Created by admin on Sat Dec 16 10:39:45 UTC 2023 , Edited by admin on Sat Dec 16 10:39:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID601127819
Created by admin on Sat Dec 16 10:39:45 UTC 2023 , Edited by admin on Sat Dec 16 10:39:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP