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Details

Stereochemistry ACHIRAL
Molecular Formula C34H32N4O2S2
Molecular Weight 592.773
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DIBENZO(B,F)(1,4)THIAZEPINYL QUETIAPINE

SMILES

C(COC1=NC2=C(SC3=C1C=CC=C3)C=CC=C2)OCCN4CCN(CC4)C5=NC6=C(SC7=C5C=CC=C7)C=CC=C6

InChI

InChIKey=JFSABCRSSHMNCX-UHFFFAOYSA-N
InChI=1S/C34H32N4O2S2/c1-5-13-29-25(9-1)33(35-27-11-3-7-15-31(27)41-29)38-19-17-37(18-20-38)21-22-39-23-24-40-34-26-10-2-6-14-30(26)42-32-16-8-4-12-28(32)36-34/h1-16H,17-24H2

HIDE SMILES / InChI

Molecular Formula C34H32N4O2S2
Molecular Weight 592.773
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 14:27:01 UTC 2023
Edited
by admin
on Sat Dec 16 14:27:01 UTC 2023
Record UNII
6A7XK31L4X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DIBENZO(B,F)(1,4)THIAZEPINYL QUETIAPINE
Common Name English
DIBENZO(B,F)(1,4)THIAZEPINE, 11-(4-(2-(2-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YLOXY)ETHOXY)ETHYL)-1-PIPERAZINYL)-
Systematic Name English
11-(4-(2-(2-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YLOXY)ETHOXY)ETHYL)PIPERAZIN-1-YL)DIBENZO(B,F)(1,4)THIAZEPINE
Systematic Name English
QUETIAPINE FUMARATE IMPURITY W [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1800608-95-0
Created by admin on Sat Dec 16 14:27:01 UTC 2023 , Edited by admin on Sat Dec 16 14:27:01 UTC 2023
PRIMARY
PUBCHEM
125289922
Created by admin on Sat Dec 16 14:27:01 UTC 2023 , Edited by admin on Sat Dec 16 14:27:01 UTC 2023
PRIMARY
FDA UNII
6A7XK31L4X
Created by admin on Sat Dec 16 14:27:01 UTC 2023 , Edited by admin on Sat Dec 16 14:27:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP