Chemical Properties of Cimetidine (CAS 51481-61-9)

Cimetidine

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InChI
InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChI Key
AQIXAKUUQRKLND-UHFFFAOYSA-N
Formula
C10H16N6S
SMILES
CNC(=NCCSCc1nc[nH]c1C)NC#N
Molecular Weight1
252.34
CAS
51481-61-9
Other Names
  • 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine
  • 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine
  • Acibilin
  • Acinil
  • Cimal
  • Cimetag
  • Cimetum
  • Dyspamet
  • Edalene
  • Eureceptor
  • FPF 1002
  • Gastromet
  • Guanidine, N''-cyano-N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-
  • Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-
  • N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine
  • Peptol
  • SKF 92334
  • Tagamet
  • Tametin
  • Tratul
  • Ulcedin
  • Ulcedine
  • Ulcerfen
  • Ulcimet
  • Ulcofalk
  • Ulcomedina
  • Ulcomet
  • Ulhys
Sources

Physical Properties

Property Value Unit Source
IE 7.70 eV NIST
IE 8.41 eV NIST
logPoct/wat 0.60 Crippen Calculated Property

Similar Compounds

2-(Methylthio)methyl-3,5,6-trimethylpyrazine. 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine. S-Methoxycarbonylcysteine, MTH-TMS. 2-Phenoxy-3-benzoyl pyrazine phenyl hydrazone. Histamine, n,n,n'-tris(trimethylsilyl)-. .epsilon.-Methylthiocarbamyl lysine, MTH-TMS. 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-methoxy-. Isoleucine, MTH-TMS. Cyclohexanol, 2-(9h-6-chloropurin-9-yl)-, trans. 9H-purine, 2-amino-6-methyl-9-beta-d-ribofuranosyl-. 9H-purine, 6-chloro-9-(beta-d-ribofuranosyl)-. 9H-purine-6(1h)-thione, 1-methyl-9-beta-d-ribofuranosyl-. 9H-purine, 6-ethyl-9-(beta-d-ribofuranosyl)-. Valine, MTH-TMS. Purin-8(9h)-one, 9-benzyl-6-chloro-.

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