CAS 77076-18-7

1-[N'-methyl-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidoyl]urea

Description:

1-[N'-methyl-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidoyl]urea, with the CAS number 77076-18-7, is a chemical compound characterized by its complex structure, which includes a urea moiety and an imidazole ring. This compound features a methyl group attached to a nitrogen atom, contributing to its overall stability and reactivity. The presence of a sulfanyl group indicates potential for thiol-related chemistry, which can be significant in biological systems or synthetic applications. The imidazole ring is known for its role in various biochemical processes, including enzyme catalysis and coordination with metal ions. The compound's functional groups suggest it may exhibit properties such as solubility in polar solvents and potential interactions with biological macromolecules. Its unique structure may also confer specific pharmacological activities, making it of interest in medicinal chemistry. Overall, this compound's characteristics highlight its potential utility in various chemical and biological contexts.

Formula: C₁₀H₁₈N₆OS

InChI: InChI=1/C10H18N6OS/c1-7-8(15-6-14-7)5-18-4-3-13-10(12-2)16-9(11)17/h6H,3-5H2,1-2H3,(H,14,15)(H4,11,12,13,16,17)

SMILES: Cc1c(CSCCNC(=NC)NC(=N)O)[nH]cn1

Synonyms:

• Cimetidine impurity 3/Cimetidine EP Impurity C/Cimetidine Amide Impurity/1-[(Methylamino)-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]-ethyl] amino]methylidene]urea
• [N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]urea
• Cimetidine ImpuritⅠ:[(Methylamino)[[2-[[5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]methylene]- urea
• guanylurea cimetidine
• {N-methyl-N'-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-carbamimidoyl}-urea
• Cimetidine Impurity C(EP)
• Urea, N-[[[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]amino](methylimino)methyl]-
• 1-(((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)(methylamino)methylene)urea dihydrochloride

Cimetidine EP Impurity C

CAS: 77076-18-7

Formula: C₁₀H₁₈N₆OS

Color and Shape: White To Off-White Solid

Molecular weight: 270.36

Ref: 4Z-C-438