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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H23N5O4S
Molecular Weight 345.418
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-timolol

SMILES

CC(C)(C)N(C[C@H](O)COC1=NSN=C1N2CCOCC2)N=O

InChI

InChIKey=JJTVSGFISCETCP-JTQLQIEISA-N
InChI=1S/C13H23N5O4S/c1-13(2,3)18(16-20)8-10(19)9-22-12-11(14-23-15-12)17-4-6-21-7-5-17/h10,19H,4-9H2,1-3H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H23N5O4S
Molecular Weight 345.418
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:29:59 GMT 2025
Edited
by admin
on Wed Apr 02 18:29:59 GMT 2025
Record UNII
U6GTV23FXL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-timolol
Preferred Name English
Code System Code Type Description
PUBCHEM
171390085
Created by admin on Wed Apr 02 18:29:59 GMT 2025 , Edited by admin on Wed Apr 02 18:29:59 GMT 2025
PRIMARY
FDA UNII
U6GTV23FXL
Created by admin on Wed Apr 02 18:29:59 GMT 2025 , Edited by admin on Wed Apr 02 18:29:59 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY