U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21NO2S
Molecular Weight 327.441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-11-[3-(dimethylamino)propylidene]-6,11-dihydro-5H-5λ6-dibenzo[b,e]thiepin-5,5-dione,

SMILES

CN(C)CC\C=C1/C2=C(CS(=O)(=O)C3=C1C=CC=C3)C=CC=C2

InChI

InChIKey=SDAOUNLJPTVJAJ-GZTJUZNOSA-N
InChI=1S/C19H21NO2S/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-23(21,22)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+

HIDE SMILES / InChI

Molecular Formula C19H21NO2S
Molecular Weight 327.441
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 Sat Dec 16 19:55:51 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:51 GMT 2023
Record UNII
4SHG3J2J22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-11-[3-(dimethylamino)propylidene]-6,11-dihydro-5H-5λ6-dibenzo[b,e]thiepin-5,5-dione,
Systematic Name English
1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-, S,S-dioxide, (E)-
Systematic Name English
1-Propanamine, 3-(5,5-dioxidodibenzo[b,e]thiepin-11(6H)-ylidene)-N,N-dimethyl-, (E)-
Systematic Name English
DOSULEPIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
25846-81-5
Created by admin on Sat Dec 16 19:55:51 GMT 2023 , Edited by admin on Sat Dec 16 19:55:51 GMT 2023
PRIMARY
FDA UNII
4SHG3J2J22
Created by admin on Sat Dec 16 19:55:51 GMT 2023 , Edited by admin on Sat Dec 16 19:55:51 GMT 2023
PRIMARY
PUBCHEM
826585
Created by admin on Sat Dec 16 19:55:51 GMT 2023 , Edited by admin on Sat Dec 16 19:55:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY