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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9NO3S2
Molecular Weight 279.335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIENO(3,2-C)(1)BENZOTHIEPIN-10(4H)-ONE, 9-AMINO-, 5,5-DIOXIDE

SMILES

NC1=C2C(=CC=C1)S(=O)(=O)CC3=C(SC=C3)C2=O

InChI

InChIKey=CJZOOEFCTBGZHT-UHFFFAOYSA-N
InChI=1S/C12H9NO3S2/c13-8-2-1-3-9-10(8)11(14)12-7(4-5-17-12)6-18(9,15)16/h1-5H,6,13H2

HIDE SMILES / InChI

Molecular Formula C12H9NO3S2
Molecular Weight 279.335
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 Sat Dec 16 09:08:43 GMT 2023
Edited
by admin
on Sat Dec 16 09:08:43 GMT 2023
Record UNII
J4K79C5KL9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIENO(3,2-C)(1)BENZOTHIEPIN-10(4H)-ONE, 9-AMINO-, 5,5-DIOXIDE
Systematic Name English
KW-7158 METABOLITE M2
Code English
Code System Code Type Description
FDA UNII
J4K79C5KL9
Created by admin on Sat Dec 16 09:08:43 GMT 2023 , Edited by admin on Sat Dec 16 09:08:43 GMT 2023
PRIMARY
PUBCHEM
68715329
Created by admin on Sat Dec 16 09:08:43 GMT 2023 , Edited by admin on Sat Dec 16 09:08:43 GMT 2023
PRIMARY
CAS
1022179-00-5
Created by admin on Sat Dec 16 09:08:43 GMT 2023 , Edited by admin on Sat Dec 16 09:08:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MINOR METABOLITE IN RODENTS AND DOGS
MAJOR
PLASMA