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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16N6OS
Molecular Weight 268.339
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMETIDINE HYDROXYMETHYL

SMILES

CNC(NCCSCC1=C(CO)NC=N1)=NC#N

InChI

InChIKey=JSTWNRREBFKXNZ-UHFFFAOYSA-N
InChI=1S/C10H16N6OS/c1-12-10(14-6-11)13-2-3-18-5-9-8(4-17)15-7-16-9/h7,17H,2-5H2,1H3,(H,15,16)(H2,12,13,14)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
CIMETIDINE HYDROXYMETHYL
Common Name English
(N-METHYL-N'-CYANO-N''-(2-((5-HYDROXYMETHYLIMIDAZOL-4-YL)METHYLTHIO)ETHYL)GUANIDINE
Preferred Name English
N-CYANO-N'-(2-(((4-(HYDROXYMETHYL)-1H-IMIDAZOL-5-YL)METHYL)THIO)ETHYL)-N''-METHYLGUANIDINE
Systematic Name English
GUANIDINE, N-CYANO-N'-(2-(((4-(HYDROXYMETHYL)-1H-IMIDAZOL-5-YL)METHYL)THIO)ETHYL)-N''-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80208103
Created by admin on Mon Mar 31 19:51:41 GMT 2025 , Edited by admin on Mon Mar 31 19:51:41 GMT 2025
PRIMARY
PUBCHEM
162879
Created by admin on Mon Mar 31 19:51:41 GMT 2025 , Edited by admin on Mon Mar 31 19:51:41 GMT 2025
PRIMARY
CAS
59359-50-1
Created by admin on Mon Mar 31 19:51:41 GMT 2025 , Edited by admin on Mon Mar 31 19:51:41 GMT 2025
PRIMARY
FDA UNII
1I301OP4HL
Created by admin on Mon Mar 31 19:51:41 GMT 2025 , Edited by admin on Mon Mar 31 19:51:41 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of CIMETIDINE
NIH
NCATS
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