Cimetidine-d3

Base Information

• Chemical Name: Cimetidine-d3
• CAS No.: 1185237-29-9
• Molecular Formula: C10H16N6S
• Molecular Weight: 255.36
• European Community (EC) Number: 873-787-9
• Mol file: 1185237-29-9.mol

Synonyms:Cimetidine-d3;1185237-29-9;1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidine;N-cyano-N''-(?H?)methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine;HY-14289S;AKOS030227986;CS-0202660;N-Cyano-N'-methyl-d3-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine

Chemical Property of Cimetidine-d3

Chemical Property:

• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 255.13454595
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

97% ^*data from raw suppliers

Cimetidine-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N
• Isomeric SMILES: [2H]C([2H])([2H])N=C(NCCSCC1=C(NC=N1)C)NC#N
• Uses: Competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output Competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output.

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