CAS: 1076198-18-9; N-((Hexahydrocyclopenta[c]Pyrrol-2(1H)-yl)Carbamoyl)-2-Methylbenzenesulfonamide

• 英文名称N-((Hexahydrocyclopenta[c]Pyrrol-2(1H)-yl)Carbamoyl)-2-Methylbenzenesulfonamide
• 中文名称N-[[(六氢环戊二烯并[c]吡咯-2(1H)-基)氨基]羰基]-2-甲基苯磺酰胺
• IUPAC名称N-((hexahydrocyclopenta[c]pyrrol-2(1H)-yl)carbamoyl)-2-methylbenzenesulfonamide
• 其它别名N-[[(Hexahydrocyclopenta [c]Pyrrol-2(1H)-yl)Amino]Carbonyl]-2-Methyl Benzenesulfonamide; 1-(Hexahydrocyclopenta[c]Pyrrol-2(1H)-yl)-3-[(2-Methylphenyl)Sulphonyl]Urea; 1-(Hexahydrocyclopenta[c]Pyrrol-2(1H)-yl)-3-[(2-Methylphenyl)Sulfonyl]Urea; Gliclazide Ep Impurity F; Gliclazide Impurity 6(Gliclazide Ep Impurity F); Gliclazide Impurity ⅰ：ortho Gliclazide; 1-(Hexahydrocyclopenta[c]Pyrrol-2(1; Gliclazide Impurity F Crs
• CAS编号1076198-18-9
• MFCD编号:MFCD08063770
• FDA UNII编号:MMV5P87V3A
• 分子式:C15H21N3O3S分子量:323.42
• 产品CID: 114058
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: XLSAYFQNZDWDHT-UHFFFAOYSA-N
• InChI=1S/C15H21N3O3S/c1-11-5-2-3-8-14(11)22(20,21)17-15(19)16-18-9-12-6-4-7-13(12)10-18/h2-3,5,8,12-13H,4,6-7,9-10H2,1H3,(H2,16,17,19)
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数3.0

物理性质

• 熔点160 - 164°C
• 密度1.35±0.1 g/cm3(预测)
• pKa:5.89±0.10(预测)
• PSA:90.38
• LogP:3.2438
• 溶解性Chloroform (Slightly), Methanol (Slightly)

MSDS等安全信息

• 警示词warning
• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333
• WGK Germany3

合成工艺路线路线简述

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管