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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16N6OS
Molecular Weight 268.339
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMETIDINE SULFOXIDE, (S)-

SMILES

CNC(NCC[S@+]([O-])CC1=C(C)NC=N1)=NC#N

InChI

InChIKey=HOJLJLYVNQFCRE-SFHVURJKSA-N
InChI=1S/C10H16N6OS/c1-8-9(16-7-15-8)5-18(17)4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16N6OS
Molecular Weight 268.339
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:19:28 GMT 2025
Edited
by admin
on Mon Mar 31 22:19:28 GMT 2025
Record UNII
6VE31S69B1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-CIMETIDINE S-OXIDE
Preferred Name English
CIMETIDINE SULFOXIDE, (S)-
Common Name English
N-CYANO-N'-METHYL-N''-(2-((S)-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)SULFINYL)ETHYL)GUANIDINE
Common Name English
GUANIDINE, N-CYANO-N'-METHYL-N''-(2-((S)-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)SULFINYL)ETHYL)-
Systematic Name English
CIMETIDINE SULFOXIDE, (-)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501123026
Created by admin on Mon Mar 31 22:19:28 GMT 2025 , Edited by admin on Mon Mar 31 22:19:28 GMT 2025
PRIMARY
FDA UNII
6VE31S69B1
Created by admin on Mon Mar 31 22:19:28 GMT 2025 , Edited by admin on Mon Mar 31 22:19:28 GMT 2025
PRIMARY
PUBCHEM
91800136
Created by admin on Mon Mar 31 22:19:28 GMT 2025 , Edited by admin on Mon Mar 31 22:19:28 GMT 2025
PRIMARY PUBCHEM
CAS
151258-42-3
Created by admin on Mon Mar 31 22:19:28 GMT 2025 , Edited by admin on Mon Mar 31 22:19:28 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER