(Z)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine

• ChemBase编号: 179790
• 分子式: C10H16N6S
• 平均质量: 252.33924
• 单一同位素质量: 252.11571554
• SMILES: N(=C(\NC)/NCCSCc1nc[nH]c1C)/C#N
• Canonical SMILES: N#C/N=C(\NCCSCc1nc[nH]c1C)/NC
• 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)
• InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
• IUPAC传统名: (Z)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
• 别名: Acitak; Acinil; Altramet; Azucimet; Cedine; Cimagen; Cimal; Cimetag; Cime; Cimeldine; Cimetimax; DuraH2; Dyspamet; Edalene; Galenamet; Gastromet; Magicul; Metracin; Neutromed; Neutronorm; Peptimax; Peptol; Phimetin; Sigmetadine; Tagamet; Tametin; Ulcedin; Ultek; Ulcometin; Ulcostad; Venopex; Zita; Cimetidine

登记号

• CAS号: 51481-61-9
• PubChem SID: 164235700
• PubChem CID: 2756

理论计算性质

• Acid pKa: 13.3825
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -1.023358
• LogD (pH = 7.4): -0.21932887
• Log P: -0.109356105
• 摩尔折射率: 70.3171 cm^3
• 极化性: 25.88721 Å^3
• 极化表面积: 88.89 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

药理学性质

• 生物活性机理: Hepatic monooxygenase inhibitor; Histamine H2 receptor antagonist

产品相关信息

• 应用领域: Anti-HIV; Used to treat peptic ulcers, duodenal ulcers, gastrointestinal bleeding and gastrooesophageal reflux disease

参考文献

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