7,7-(((11RS)-3-CHLORO-6-METHYL-6,11-DIHYDRODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)IMINO)DIHEPTANOIC ACID S,S-DIOXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H37ClN2O6S
Molecular Weight	565.121
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7,7-(((11RS)-3-CHLORO-6-METHYL-6,11-DIHYDRODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)IMINO)DIHEPTANOIC ACID S,S-DIOXIDE

Structure Search

SMILES

CN1C2=CC=CC=C2C(N(CCCCCCC(O)=O)CCCCCCC(O)=O)C3=CC=C(Cl)C=C3S1(=O)=O

InChI

InChIKey=KVNWABLEZYXEOG-UHFFFAOYSA-N

InChI=1S/C28H37ClN2O6S/c1-30-24-13-9-8-12-22(24)28(23-17-16-21(29)20-25(23)38(30,36)37)31(18-10-4-2-6-14-26(32)33)19-11-5-3-7-15-27(34)35/h8-9,12-13,16-17,20,28H,2-7,10-11,14-15,18-19H2,1H3,(H,32,33)(H,34,35)

HIDE SMILES / InChI

Molecular Formula	C28H37ClN2O6S
Molecular Weight	565.121
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:42:51 GMT 2025` Edited by `admin` on `Wed Apr 02 11:42:51 GMT 2025`
Record UNII	F8Z273X397
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7,7-(((11RS)-3-CHLORO-6-METHYL-6,11-DIHYDRODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)IMINO)DIHEPTANOIC ACID S,S-DIOXIDE

Systematic Name

English

TIANEPTINE SODIUM IMPURITY E [EP IMPURITY]

Preferred Name

English

HEPTANOIC ACID, 7,7'-((3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5-DIOXIDODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)IMINO)BIS-

Systematic Name

English

Code System Code Type Description

PUBCHEM

129011904

Created by admin on Wed Apr 02 11:42:51 GMT 2025 , Edited by admin on Wed Apr 02 11:42:51 GMT 2025

PRIMARY

FDA UNII

F8Z273X397

Created by admin on Wed Apr 02 11:42:51 GMT 2025 , Edited by admin on Wed Apr 02 11:42:51 GMT 2025

PRIMARY

CAS

768351-55-9

Created by admin on Wed Apr 02 11:42:51 GMT 2025 , Edited by admin on Wed Apr 02 11:42:51 GMT 2025

PRIMARY

Related Record Type Details


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TIANEPTINE SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: