ETHYL 7-(((11RS)-3-CHLORO-6-METHYL-6,11-DIHYDRODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)AMINO)HEPTANOATE S,S-DIOXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H29ClN2O4S
Molecular Weight	465.005
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 7-(((11RS)-3-CHLORO-6-METHYL-6,11-DIHYDRODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)AMINO)HEPTANOATE S,S-DIOXIDE

Structure Search

SMILES

CCOC(=O)CCCCCCNC1C2=CC=CC=C2N(C)S(=O)(=O)C3=CC(Cl)=CC=C13

InChI

InChIKey=FEFUFMZSNHPQDX-UHFFFAOYSA-N

InChI=1S/C23H29ClN2O4S/c1-3-30-22(27)12-6-4-5-9-15-25-23-18-10-7-8-11-20(18)26(2)31(28,29)21-16-17(24)13-14-19(21)23/h7-8,10-11,13-14,16,23,25H,3-6,9,12,15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C23H29ClN2O4S
Molecular Weight	465.005
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 05:05:39 GMT 2025` Edited by `admin` on `Wed Apr 02 05:05:39 GMT 2025`
Record UNII	13Y3KEM8QN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIANEPTINE SODIUM IMPURITY B [EP IMPURITY]

Preferred Name

English

ETHYL 7-(((11RS)-3-CHLORO-6-METHYL-6,11-DIHYDRODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)AMINO)HEPTANOATE S,S-DIOXIDE

Systematic Name

English

HEPTANOIC ACID, 7-((3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5-DIOXIDODIBENZO(C,F)(1,2)THIAZEPIN-11-YL)AMINO)-, ETHYL ESTER

Systematic Name

English

HEPTANOIC ACID, 7-((3-CHLORO-6,11-DIHYDRO-6-METHYLDIBENZO(C,F)(1,2)THIAZEPIN-11-YL)AMINO)-, ETHYL ESTER, S,S-DIOXIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001106716

Created by admin on Wed Apr 02 05:05:39 GMT 2025 , Edited by admin on Wed Apr 02 05:05:39 GMT 2025

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CAS

66981-77-9

Created by admin on Wed Apr 02 05:05:39 GMT 2025 , Edited by admin on Wed Apr 02 05:05:39 GMT 2025

PRIMARY

FDA UNII

13Y3KEM8QN

Created by admin on Wed Apr 02 05:05:39 GMT 2025 , Edited by admin on Wed Apr 02 05:05:39 GMT 2025

PRIMARY

PUBCHEM

45358491

Created by admin on Wed Apr 02 05:05:39 GMT 2025 , Edited by admin on Wed Apr 02 05:05:39 GMT 2025

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Related Record Type Details


					YG0E19592I

TIANEPTINE SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: