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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N8O2S
Molecular Weight 310.336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Dinitrosocimetidine

SMILES

CN(N=O)C(=NC#N)N(CCSCC1=C(C)N=CN1)N=O

InChI

InChIKey=RVBORITULVDDMB-ZRDIBKRKSA-N
InChI=1S/C10H14N8O2S/c1-8-9(14-7-13-8)5-21-4-3-18(16-20)10(12-6-11)17(2)15-19/h7H,3-5H2,1-2H3,(H,13,14)/b12-10+

HIDE SMILES / InChI

Molecular Formula C10H14N8O2S
Molecular Weight 310.336
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 Fri Dec 15 17:59:00 GMT 2023
Edited
by admin
on Fri Dec 15 17:59:00 GMT 2023
Record UNII
4U9X3GWE85
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dinitrosocimetidine
Common Name English
Guanidine, N′′-cyano-N-methyl-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-N,N′-dinitroso-
Systematic Name English
N′′-Cyano-N-methyl-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-N,N′-dinitrosoguanidine
Systematic Name English
Guanidine, N′′-cyano-N-methyl-N′-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N,N′-dinitroso-
Systematic Name English
Code System Code Type Description
CAS
82038-92-4
Created by admin on Fri Dec 15 17:59:00 GMT 2023 , Edited by admin on Fri Dec 15 17:59:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID701116251
Created by admin on Fri Dec 15 17:59:00 GMT 2023 , Edited by admin on Fri Dec 15 17:59:00 GMT 2023
PRIMARY
PUBCHEM
86287568
Created by admin on Fri Dec 15 17:59:00 GMT 2023 , Edited by admin on Fri Dec 15 17:59:00 GMT 2023
PRIMARY
FDA UNII
4U9X3GWE85
Created by admin on Fri Dec 15 17:59:00 GMT 2023 , Edited by admin on Fri Dec 15 17:59:00 GMT 2023
PRIMARY