Cimetidine

• Formula: C₁₀H₁₆N₆S
• Molecular weight: 252.339
• IUPAC Standard 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) Copy

  
• IUPAC Standard InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N Copy
• CAS Registry Number: 51481-61-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 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; 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; Eureceptor; FPF 1002; Gastromet; SKF 92334; Tagamet; Tametin; Tratul; Ulcedine; Ulcimet; Ulcomet; Guanidine, N''-cyano-N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-; Acibilin; Acinil; Cimal; Cimetag; Cimetum; Dyspamet; Edalene; Peptol; Ulcedin; Ulcerfen; Ulcofalk; Ulcomedina; Ulhys
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Klasinc, Butkovic, et al., 1980
Klasinc, L.; Butkovic, V.; Novak, I.; Mihalic, M.; Toso, R.; Sunjic, V., Application of photoelectron spectroscopy to biologically active molecules and their constituent parts. VII. N-cyanoazomethines, Gazz. Chim. Ital., 1980, 110, 287. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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