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

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

Molecular Formula C10H16N6OS
Molecular Weight 268.339
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 19:37:56 UTC 2023
Edited
by admin
on Fri Dec 15 19:37:56 UTC 2023
Record UNII
1I301OP4HL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMETIDINE HYDROXYMETHYL
Common Name English
(N-METHYL-N'-CYANO-N''-(2-((5-HYDROXYMETHYLIMIDAZOL-4-YL)METHYLTHIO)ETHYL)GUANIDINE
Systematic 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 Fri Dec 15 19:37:56 UTC 2023 , Edited by admin on Fri Dec 15 19:37:56 UTC 2023
PRIMARY
PUBCHEM
162879
Created by admin on Fri Dec 15 19:37:56 UTC 2023 , Edited by admin on Fri Dec 15 19:37:56 UTC 2023
PRIMARY
CAS
59359-50-1
Created by admin on Fri Dec 15 19:37:56 UTC 2023 , Edited by admin on Fri Dec 15 19:37:56 UTC 2023
PRIMARY
FDA UNII
1I301OP4HL
Created by admin on Fri Dec 15 19:37:56 UTC 2023 , Edited by admin on Fri Dec 15 19:37:56 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE