Famotidine sulfamoyl propanamide

Base Information

• Chemical Name: Famotidine sulfamoyl propanamide
• CAS No.: 106433-44-7
• Molecular Formula: C8H14 N6 O3 S3
• Molecular Weight: 338.43
• UNII: 3V359F2S9X
• DSSTox Substance ID: DTXSID40147600
• Nikkaji Number: J2.587.549D
• Wikidata: Q27258065
• Mol file: 106433-44-7.mol

Synonyms:106433-44-7;Famotidine sulfamoyl propanamide;[3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide;3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N-sulfamoylpropanamide;3V359F2S9X;3-(((2-Guanidinothiazol-4-yl)methyl)thio)-N-sulfamoylpropanamide;3-(((2-((Diaminomethylidene)amino)thiazol-4-yl)methyl)sulfanyl)-N-sulfamoylpropanamide;Propanamide, 3-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-N-(aminosulfonyl)-;UNII-3V359F2S9X;Famotidine impurity C [EP];Famotidine specified impurity C [EP];SCHEMBL9647560;DTXSID40147600;BPCROVNHEMFQOD-UHFFFAOYSA-N;FAMOTIDINE IMPURITY C [EP IMPURITY];J-001590;Q27258065;N-Sulfamyl-3-[(2-guanidinothiazol-4-yl)methylthio]propionamide;N-(amino-sulfonyl)-3-[[[2-[(diaminomethylene)amino] thiazol-4-yl]methyl]thio]-propanamide

Chemical Property of Famotidine sulfamoyl propanamide

Chemical Property:

• Melting Point: 148-150°C dec.
• Refractive Index: 1.79
• PKA: 4.77±0.40(Predicted)
• PSA: 228.47000
• Density: 1.83g/cm³
• LogP: 2.56360
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 338.02895185
• Heavy Atom Count: 20
• Complexity: 459

Purity/Quality:

95% ^*data from raw suppliers

[3-[[[2-(Diaminomethyleneamino)-4-thiazolyl]methyl]thio]propionyl]sulfamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(S1)N=C(N)N)CSCCC(=O)NS(=O)(=O)N
• Uses: An intermediate in the synthesis of the metabolite of the drug Famotidine