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Details

Stereochemistry ACHIRAL
Molecular Formula C10H15N7OS
Molecular Weight 281.337
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-Nitrosocimetidine

SMILES

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

InChI

InChIKey=LFTUYYPQNCJQGN-UHFFFAOYSA-N
InChI=1S/C10H15N7OS/c1-8-9(15-7-14-8)5-19-4-3-12-10(13-6-11)17(2)16-18/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)

HIDE SMILES / InChI

Molecular Formula C10H15N7OS
Molecular Weight 281.337
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 Mon Mar 31 18:40:55 GMT 2025
Edited
by admin
on Mon Mar 31 18:40:55 GMT 2025
Record UNII
5CXR4RUT8V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nitrosocimetidine, N-
Preferred Name English
N-Nitrosocimetidine
Common Name English
N?-Cyano-N-methyl-N??-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-N-nitrosoguanidine
Systematic Name English
Guanidine, N?-cyano-N-methyl-N??-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-N-nitroso-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7021025
Created by admin on Mon Mar 31 18:40:55 GMT 2025 , Edited by admin on Mon Mar 31 18:40:55 GMT 2025
PRIMARY
FDA UNII
5CXR4RUT8V
Created by admin on Mon Mar 31 18:40:55 GMT 2025 , Edited by admin on Mon Mar 31 18:40:55 GMT 2025
PRIMARY
CAS
73785-40-7
Created by admin on Mon Mar 31 18:40:55 GMT 2025 , Edited by admin on Mon Mar 31 18:40:55 GMT 2025
PRIMARY
PUBCHEM
52445
Created by admin on Mon Mar 31 18:40:55 GMT 2025 , Edited by admin on Mon Mar 31 18:40:55 GMT 2025
PRIMARY