2-(2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHOXY)ETHYL 2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H42N6O3S2
Molecular Weight	718.93
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHOXY)ETHYL 2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ACETATE

Structure Search

SMILES

O=C(CN1CCN(CC1)C2=NC3=C(SC4=CC=CC=C24)C=CC=C3)OCCOCCN5CCN(CC5)C6=NC7=C(SC8=C6C=CC=C8)C=CC=C7

InChI

InChIKey=DHHVVVZKNWCEEX-UHFFFAOYSA-N

InChI=1S/C40H42N6O3S2/c47-38(29-44-19-23-46(24-20-44)40-31-10-2-6-14-35(31)51-37-16-8-4-12-33(37)42-40)49-28-27-48-26-25-43-17-21-45(22-18-43)39-30-9-1-5-13-34(30)50-36-15-7-3-11-32(36)41-39/h1-16H,17-29H2

HIDE SMILES / InChI

Molecular Formula	C40H42N6O3S2
Molecular Weight	718.93
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 10:32:38 UTC 2023` Edited by `admin` on `Sat Dec 16 10:32:38 UTC 2023`
Record UNII	9NC33KO40Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHOXY)ETHYL 2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ACETATE

Systematic Name

English

1-PIPERAZINEACETIC ACID, 4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-, 2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY)ETHYL ESTER

Systematic Name

English

QUETIAPINE FUMARATE IMPURITY C [EP IMPURITY]

Common Name

English

QUETIAPINE DIMER, N-DES(HYDROXYETHYL(ETHOXY))-N-ACETYL

Common Name

English

Code System Code Type Description

PUBCHEM

125321468

Created by admin on Sat Dec 16 10:32:39 UTC 2023 , Edited by admin on Sat Dec 16 10:32:39 UTC 2023

PRIMARY

CAS

1798840-31-9

Created by admin on Sat Dec 16 10:32:39 UTC 2023 , Edited by admin on Sat Dec 16 10:32:39 UTC 2023

PRIMARY

FDA UNII

9NC33KO40Q

Created by admin on Sat Dec 16 10:32:39 UTC 2023 , Edited by admin on Sat Dec 16 10:32:39 UTC 2023

PRIMARY

Related Record Type Details


					2S3PL1B6UJ

QUETIAPINE FUMARATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: