5-azanidyl-3-(morpholin-4-yl)-1,2,3λ5-oxadiazol-3-ylium hydrochloride

• ChemBase编号: 131552
• 分子式: C6H11ClN4O2
• 平均质量: 206.63014
• 单一同位素质量: 206.05705329
• SMILES: c1c(on[n+]1N1CCOCC1)[NH-].Cl
• Canonical SMILES: [NH-]c1on[n+](c1)N1CCOCC1.Cl
• InChI: InChI=1S/C6H10N4O2.ClH/c7-6-5-10(8-12-6)9-1-3-11-4-2-9;/h5,7H,1-4H2;1H
• InChIKey: NCGICGYLBXGBGN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-azanidyl-3-(morpholin-4-yl)-1,2,3λ^5-oxadiazol-3-ylium hydrochloride
• IUPAC传统名: 5-azanidyl-3-(morpholin-4-yl)-1,2,3λ^5-oxadiazol-3-ylium hydrochloride
• 别名: SIN-1 hydrochloride; 3-Morpholinosydnonimine hydrochloride; 3-(4-Morpholinyl)sydnone imine hydrochloride; Linsidomine hydrochloride

登记号

• CAS号: 16142-27-1
• MDL号: MFCD00214332
• PubChem SID: 162225830; 24278580; 24897048
• PubChem CID: 9859122

理论计算性质

• Acid pKa: 8.8769245
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.0612547
• LogD (pH = 7.4): -2.068631
• Log P: -2.0596268
• 摩尔折射率: 60.3173 cm^3
• 极化性: 15.185209 Å^3
• 极化表面积: 62.61 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: >10 mg/mL
• 外观: off-white solid

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: (consistent with structure, NMR)

详细说明

Sigma Aldrich - M184

Caution
Hygroscopic, photosensitive
Biochem/physiol Actions
Liberates nitric oxide (NO) spontaneously when in solution, activating guanylyl cyclase and causing an increase in cyclic-GMP. This product is a vasodilator and inhibits platelet aggregation. Using molecular oxygen, it generates both superoxide anion and nitric oxide that spontaneously form peroxynitrite.

Sigma Aldrich - M5793

Biochem/physiol Actions
Liberates nitric oxide (NO) spontaneously when in solution, activating guanylyl cyclase and causing an increase in cyclic-GMP. This product is a vasodilator and inhibits platelet aggregation. Using molecular oxygen, it generates both superoxide anion and nitric oxide that spontaneously form peroxynitrite.