4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide

• ChemBase编号: 104656
• 分子式: C11H12N4O3S
• 平均质量: 280.30298
• 单一同位素质量: 280.06301126
• SMILES: COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
• Canonical SMILES: COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)N
• InChI: InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
• InChIKey: VLYWMPOKSSWJAL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide
• IUPAC传统名: longin; 4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide
• 别名: 4-氨基-N-(6-甲氧基-3-哒嗪基)苯磺酰胺; 磺胺甲氧哒嗪; N1-(6-Methoxypyridazin-3-yl)sulfanilamide; Sulfamethoxypyridazine; SULFAMETHOXYPYRIDAZINE; 4-Amino-N-(6-methoxy-3-pyridazinyl)-benzenesulfonamide; 3-Methoxy-6-sulfanilamidopyridazine; 6-Sulfanilamido-3-methoxypyridazine; Sultirene; N1-(6-Methoxy-3-pyridazinyl)sulfanilamide; Paramid; Paramid Supra; Sulphamethoxypyridazine; Kynex; Midicel; Lederkyn; Exazol; Sulfalex

登记号

• CAS号: 80-35-3
• EC号: 201-272-5
• MDL号: MFCD00057372
• Beilstein号: 277076
• PubChem SID: 162093090
• PubChem CID: 5330

理论计算性质

• Acid pKa: 6.8447905
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 0.4486758
• LogD (pH = 7.4): -0.047052328
• Log P: 0.46578658
• 摩尔折射率: 72.3872 cm^3
• 极化性: 27.145336 Å^3
• 极化表面积: 107.2 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 182-183°C

安全信息

• 保存条件: 2-8°C
• RTECS编号: WP0400000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 37/38-41
• 安全公开号: 26-39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 作用靶点: Others
• 生物活性机理: Dihydrofolate reductase inhibitor; Folate antagonist

产品相关信息

• 级别: VETRANAL™, analytical standard
• 成盐信息: Free Base
• 应用领域: Antiseptic; Long-acting sulfonamide used for treatment of systemic infections.; Low acute toxicity
• Empirical Formula (Hill Notation): C11H12N4O3S

详细说明

MP Biomedicals - 02156712

Crystalline

Sigma Aldrich - 46858

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - S699140

Antibacterial.

参考文献

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