4-amino-N-(quinoxalin-2-yl)-N-sodiobenzene-1-sulfonamide

• ChemBase编号: 104659
• 分子式: C14H11N4NaO2S
• 平均质量: 322.31751
• 单一同位素质量: 322.05004089
• SMILES: Nc1ccc(cc1)S(=O)(=O)N([Na])c1nc2c(cccc2)nc1
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N(c1cnc2c(n1)cccc2)[Na]
• InChI: InChI=1S/C14H11N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2;/q-1;+1
• InChIKey: WXUQBKOBXREBBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-N-(quinoxalin-2-yl)-N-sodiobenzene-1-sulfonamide
• IUPAC传统名: 4-amino-N-(quinoxalin-2-yl)-N-sodiobenzenesulfonamide
• 别名: 磺胺喹噁啉 钠盐; Sulfaquinoxaline sodium salt; N-(2-Quinoxalinyl)Sulfanilamide Sodium Salt; 2-p-Aminobenzenesulfonamidoquinoxaline Soidum Salt; SULFAQUINOXALINE SODIUM SALT

登记号

• CAS号: 59-40-5; 967-80-6
• EC号: 200-423-2; 213-526-2
• MDL号: MFCD00799608
• Beilstein号: 290026
• PubChem SID: 162091910; 24899740
• PubChem CID: 3693427

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.5257756
• LogD (pH = 7.4): 0.52599716
• Log P: 0.526
• 摩尔折射率: 78.4965 cm^3
• 极化性: 33.700245 Å^3
• 极化表面积: 89.18 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL, clear to almost clear, dark yellow
• 熔点: 247-248

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: WP2100000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-42/43; R:22
• 安全公开号: 22-36/37-45; S:36/37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H317
• GHS警示性声明: P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ~95%; ≥99.0% (HPLC)
• 杂质: ≤10% water
• Empirical Formula (Hill Notation): C14H11N4NaO2S

详细说明

MP Biomedicals - 02156718

Sodium Salt

Sigma Aldrich - S7382

Application
Sulfaquinoxaline is a veterinary medicine used to treat coccidiosis. It is a protective agent against upper respiratory infections of poultry and a prophylactic against coccidiosis1,2.
Biochem/physiol Actions
Sulfaquinoxaline is an ionophorous antibiotic2 that inhibits vitamin K epoxidase (epoxide reductase, menadione epoxide reductase) and quinone reductase.