Cimetidine sulfoxide
Cimetidine sulfoxide structure
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Common Name | Cimetidine sulfoxide | ||
|---|---|---|---|---|
| CAS Number | 54237-72-8 | Molecular Weight | 341.260 | |
| Density | 1.39g/cm3 | Boiling Point | 608.6ºC at 760mmHg | |
| Molecular Formula | C10H16N6OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 321.8ºC | |
Use of Cimetidine sulfoxideCimetidine sulfoxide (Cimetidine sulphoxide) is a sulfoxide metabolite of Cimetidine. Cimetidine is a histamine H2-receptor antagonist. Cimetidine has the potential for peptic ulcer disease and upper gastrointestinal haemorrhage treatment[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | cimetidine S-oxide |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Cimetidine sulfoxide (Cimetidine sulphoxide) is a sulfoxide metabolite of Cimetidine. Cimetidine is a histamine H2-receptor antagonist. Cimetidine has the potential for peptic ulcer disease and upper gastrointestinal haemorrhage treatment[1]. |
|---|---|
| Related Catalog | |
| Target |
Histamine H2-receptor[1] |
| In Vitro | Active transport of Cimetidine across the rat small intestine is observable at lower substrate concentrations (40 and 200 μM), but is masked by passive transfer at higher concentrations (400 μM). Cimetidine sulfoxide is detected after some incubations[2]. |
| In Vivo | The enantiomeric composition of Cimetidine sulfoxide is also determined in rat urine (24 h) following the administration of Cimetidine (30 mg/kg; po) to male Wistar rats. The enantiomeric ratio in this case is found to be (+/−) 57:43[3]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.39g/cm3 |
|---|---|
| Boiling Point | 608.6ºC at 760mmHg |
| Molecular Formula | C10H16N6OS |
| Molecular Weight | 341.260 |
| Flash Point | 321.8ºC |
| Exact Mass | 340.063995 |
| PSA | 125.17000 |
| LogP | 2.86438 |
| Index of Refraction | 1.665 |
| InChIKey | HOJLJLYVNQFCRE-UHFFFAOYSA-N |
| SMILES | CN=C(NC#N)NCCS(=O)Cc1nc[nH]c1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfinyl]ethyl]-, hydrochloride (1:2) |
| 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]guanidine |
| Cimetidine sulfoxide |
| 1-Cyano-3-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfinyl}ethyl)guanidine dihydrochloride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of cimetidine S-oxide? |
| A: Polar surface area (PSA) of cimetidine S-oxide is 125.17000. |
| Q: What is the LogP of cimetidine S-oxide? |
| A: LogP of cimetidine S-oxide is 2.86438. |
| Q: What is the SMILES notation of cimetidine S-oxide? |
| A: SMILES notation of cimetidine S-oxide is CN=C(NC#N)NCCS(=O)Cc1nc[nH]c1C. |
| Q: What is the InChIKey of cimetidine S-oxide? |
| A: InChIKey of cimetidine S-oxide is HOJLJLYVNQFCRE-UHFFFAOYSA-N. |
| Q: What is the boiling point of cimetidine S-oxide? |
| A: Boiling point of cimetidine S-oxide is 608.6ºC at 760mmHg. |
| Q: What are the uses of cimetidine S-oxide? |
| A: Main uses of cimetidine S-oxide: Cimetidine sulfoxide (Cimetidine sulphoxide) is a sulfoxide metabolite of Cimetidine. Cimetidine is a histamine H2-receptor antagonist. Cimetidine has the potential for peptic ulcer disease and upper gastrointestinal haemorrhage treatment[1]. |
| Q: What is the molecular formula of cimetidine S-oxide? |
| A: Molecular formula of cimetidine S-oxide is C10H16N6OS. |
| Q: What is the CAS number of cimetidine S-oxide? |
| A: CAS number of cimetidine S-oxide is 54237-72-8. |
| Q: What is the molecular weight of cimetidine S-oxide? |
| A: Molecular weight of cimetidine S-oxide is 341.260. |
| Q: What is the English name of cimetidine S-oxide? |
| A: The English name of cimetidine S-oxide is cimetidine S-oxide. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |