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

Details

Stereochemistry UNKNOWN
Molecular Formula C9H10N2O3S2
Molecular Weight 258.317
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-26990990 metabolite M1

SMILES

NS(=O)(=O)NCC1=C[S+]([O-])C2=CC=CC=C12

InChI

InChIKey=VLDZNBZLMXBEAP-UHFFFAOYSA-N
InChI=1S/C9H10N2O3S2/c10-16(13,14)11-5-7-6-15(12)9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,13,14)

HIDE SMILES / InChI

Molecular Formula C9H10N2O3S2
Molecular Weight 258.317
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 19:58:56 UTC 2023
Edited
by admin
on Sat Dec 16 19:58:56 UTC 2023
Record UNII
WQ36RAD5XB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-26990990 metabolite M1
Code English
Sulfamide, N-[(1-oxidobenzo[b]thien-3-yl)methyl]-
Systematic Name English
N-[(1-Oxidobenzo[b]thien-3-yl)methyl]sulfamide
Systematic Name English
Code System Code Type Description
PUBCHEM
25185859
Created by admin on Sat Dec 16 19:58:56 UTC 2023 , Edited by admin on Sat Dec 16 19:58:56 UTC 2023
PRIMARY
CAS
1114469-23-6
Created by admin on Sat Dec 16 19:58:56 UTC 2023 , Edited by admin on Sat Dec 16 19:58:56 UTC 2023
PRIMARY
FDA UNII
WQ36RAD5XB
Created by admin on Sat Dec 16 19:58:56 UTC 2023 , Edited by admin on Sat Dec 16 19:58:56 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
URINE