N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester is a chemical compound that is identified as an impurity in Cimetidine (C441650). Cimetidine is a well-known histamine H2-receptor antagonist that is primarily used to inhibit gastric acid secretion and reduce pepsin output.
138035-55-9
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Basic information
- Product Name: N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester
- Synonyms: N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester;Methyl 3-cyano-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethyl]-carbamimidate;Cimetidine impurity B;Cimetidine EP Impurity B;Cimetidine Impurity B(EP)
- CAS NO:138035-55-9
- Molecular Formula: C10H15N5OS
- Molecular Weight: 253.324
- EINECS: N/A
- Product Categories: N/A
- Mol File: 138035-55-9.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 459.1±55.0 °C(Predicted)
- Flash Point: N/A
- Appearance: /
- Density: 1.26±0.1 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
- Solubility: DMSO (Slightly), Methanol (Slightly)
- PKA: 14.11±0.10(Predicted)
- CAS DataBase Reference: N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester(138035-55-9)
- EPA Substance Registry System: N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester(138035-55-9)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 138035-55-9(Hazardous Substances Data)
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138035-55-9 Usage
Uses
Used in Pharmaceutical Industry:N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester is used as an impurity in the production of Cimetidine, a histamine H2-receptor antagonist. Its presence in the pharmaceutical compound is significant because it can affect the overall efficacy and safety of the drug. The compound is used for its role in the competitive inhibition of histamine H2-receptors, which helps in reducing gastric acid secretion and pepsin output, thus providing relief from conditions like peptic ulcers and gastroesophageal reflux disease (GERD).
In the pharmaceutical industry, the compound is also used for research and development purposes to understand its potential effects on the histamine H2-receptor and its implications on the overall pharmacological profile of Cimetidine. This knowledge can be utilized to improve the drug's efficacy, safety, and potential applications in treating various gastrointestinal disorders.
Additionally, the compound may be used in the development of new drugs with similar mechanisms of action or to explore novel therapeutic approaches for treating acid-related disorders. By understanding the properties and interactions of N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester, researchers can potentially design more effective and safer medications for patients suffering from gastrointestinal issues.
Check Digit Verification of cas no
The CAS Registry Mumber 138035-55-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,0,3 and 5 respectively; the second part has 2 digits, 5 and 5 respectively.Calculate Digit Verification of CAS Registry Number 138035-55:
(8*1)+(7*3)+(6*8)+(5*0)+(4*3)+(3*5)+(2*5)+(1*5)=119
119 % 10 = 9
So 138035-55-9 is a valid CAS Registry Number.
138035-55-9Upstream product
138035-55-9Downstream Products
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N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester
