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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

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 Sat Dec 16 18:36:55 GMT 2023
Edited
by admin
on Sat Dec 16 18:36:55 GMT 2023
Record UNII
F8Z273X397
Record Status Validated (UNII)
Record Version
  • Download
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
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
TIANEPTINE SODIUM IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
129011904
Created by admin on Sat Dec 16 18:36:55 GMT 2023 , Edited by admin on Sat Dec 16 18:36:55 GMT 2023
PRIMARY
FDA UNII
F8Z273X397
Created by admin on Sat Dec 16 18:36:55 GMT 2023 , Edited by admin on Sat Dec 16 18:36:55 GMT 2023
PRIMARY
CAS
768351-55-9
Created by admin on Sat Dec 16 18:36:55 GMT 2023 , Edited by admin on Sat Dec 16 18:36:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP