ChemicalBook--->CAS DataBase List--->54237-72-8

54237-72-8

54237-72-8 Structure

54237-72-8 Structure
IdentificationBack Directory
[Name]

CIMETIDINE SULPHOXIDE DIHYDROCHLORIDE
[CAS]

54237-72-8
[Synonyms]

SKF-92452
Cimetidine S-oxide
cimetidine sulfoxide
Cimetidine impurity E
Cimetidine EP Impurity E
Cimetidine Impurity E(EP)
2-Cyano-1-methyl-3-[2-[[(5-methyl-1
CIMETIDINE SULPHOXIDE DIHYDROCHLORIDE
Cimetidine Impurity 5(Cimetidine EP Impurity E)
CIMETIDINE EP IMPURITY E (CIMETIDINE SULPHOXIDE)
1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]guanidine
1-[2-[(5-Methyl-1H-imidazole-4-yl)methylsulfinyl]ethyl]-3-methyl-2-cyanoguanidine
2-Cyano-1-methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfinyl]ethyl]guanidine
1-Cyano-3-methyl-2-[2-[[(5-methyl-1H-imidazole-4-yl)methyl]sulfinyl]ethyl]guanidine
N-Cyano-N'-methyl-N''-[2-[(5-methyl-1H-imidazol-4-yl)methylsulphinyl]ethyl]guanidine
Guanidine, N-cyano-N'-methyl-N''-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]sulfinyl]ethyl]-
Cimetidine impurity 5/Cimetidine EP Impurity E/Cimetidine Sulfoxide /2-Cyano-1-methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfinyl]-ethyl]guanidine
[Molecular Formula]

C10H16N6OS
[MDL Number]

MFCD09025940
[MOL File]

54237-72-8.mol
[Molecular Weight]

268.34
Chemical PropertiesBack Directory
[Melting point ]

>180°C (dec.)
[Boiling point ]

594.8±60.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly)
[form ]

Solid
[pka]

13.38±0.10(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical
[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)
[InChIKey]

HOJLJLYVNQFCRE-UHFFFAOYSA-N
[SMILES]

[S](=O)(CCN\C(=N/C)\NC#N)Cc1nc[nH]c1C
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H311-H331
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Cimetidine Sulfoxide is a metabolite of the H2-receptor antagonist Cimetidine (C441650). Cimetidine Sulfoxide is detected in the blood and urine of patients with kidney diseases.
[Definition]

ChEBI: Cimetidine S-oxide is a sulfoxide. It is functionally related to a cimetidine.
[storage]

Store at -20°C
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