3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5,11-TRIOXODIBENZO(C,F)(1,2)THIAZEPINE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H10ClNO3S
Molecular Weight	307.752
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5,11-TRIOXODIBENZO(C,F)(1,2)THIAZEPINE

Structure Search

SMILES

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

InChI

InChIKey=RGOFXWXKWORKIP-UHFFFAOYSA-N

InChI=1S/C14H10ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8H,1H3

HIDE SMILES / InChI

Molecular Formula	C14H10ClNO3S
Molecular Weight	307.752
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 `Wed Apr 02 05:03:11 GMT 2025` Edited by `admin` on `Wed Apr 02 05:03:11 GMT 2025`
Record UNII	3S1W61H5ZK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIANEPTINE SODIUM IMPURITY C [EP IMPURITY]

Preferred Name

English

3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5,11-TRIOXODIBENZO(C,F)(1,2)THIAZEPINE

Systematic Name

English

DIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-ONE, 3-CHLORO-6-METHYL-, 5,5-DIOXIDE

Systematic Name

English

3-CHLORO-6-METHYLDIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-ONE S,S-DIOXIDE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

247-865-2

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

CAS

26638-53-9

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

PUBCHEM

14950938

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

3S1W61H5ZK

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

EPA CompTox

DTXSID40949469

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

Related Record Type Details


					YG0E19592I

TIANEPTINE SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: