7-(((11RS)-3-CHLORO-6-METHYLDIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-YLIDENE)AMINO)HEPTANOIC ACID S,S-DIOXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23ClN2O4S
Molecular Weight	434.936
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 7-(((11RS)-3-CHLORO-6-METHYLDIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-YLIDENE)AMINO)HEPTANOIC ACID S,S-DIOXIDE

Structure Search

SMILES

CN1C2=CC=CC=C2\C(=N/CCCCCCC(O)=O)C3=CC=C(Cl)C=C3S1(=O)=O

InChI

InChIKey=MWEFWMXNBIQQNK-XTQSDGFTSA-N

InChI=1S/C21H23ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,25,26)/b23-21+

HIDE SMILES / InChI

Molecular Formula	C21H23ClN2O4S
Molecular Weight	434.936
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:03:11 GMT 2025` Edited by `admin` on `Wed Apr 02 05:03:11 GMT 2025`
Record UNII	RN59FWZ7KT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-(((11RS)-3-CHLORO-6-METHYLDIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-YLIDENE)AMINO)HEPTANOIC ACID S,S-DIOXIDE

Systematic Name

English

TIANEPTINE SODIUM IMPURITY D [EP IMPURITY]

Preferred Name

English

HEPTANOIC ACID, 7-((3-CHLORO-6-METHYL-5,5-DIOXIDODIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-YLIDENE)AMINO)-

Systematic Name

English

7-((3-CHLORO-6-METHYL-5,5-DIOXIDODIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-YLIDENE)AMINO)HEPTANOIC ACID

Systematic Name

English

HEPTANOIC ACID, 7-((3-CHLORO-6-METHYLDIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-YLIDENE)AMINO)-, S,S-DIOXIDE

Systematic Name

English

Code System Code Type Description

CAS

131206-48-9

Created by admin on Wed Apr 02 05:03:11 GMT 2025 , Edited by admin on Wed Apr 02 05:03:11 GMT 2025

PRIMARY

FDA UNII

RN59FWZ7KT

Created by admin on Wed Apr 02 05:03:11 GMT 2025 , Edited by admin on Wed Apr 02 05:03:11 GMT 2025

PRIMARY

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TIANEPTINE SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: