CAS: 39030-43-8; 1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl)-1H-1,2,4-Triazole-5-Carboxamide

英文名称1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl)-1H-1,2,4-Triazole-5-Carboxamide
中文名称利巴韦林杂质G
IUPAC名称1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-1,2,4-triazole-5-carboxamide
CAS编号39030-43-8
MFCD编号:MFCD15145455
FDA UNII编号:M521CC48D7
分子式:C8H12N4O5分子量:244.21
产品CID: 1402534
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: HAMRZKKGAOJPDG-AFCXAGJDSA-N
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-11-12(7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
计算化学: 氢键受体数7.0氢键供体数4.0可旋转键数3.0

物理性质

熔点58-60°C
沸点639.8±65.0 °C(预测)
密度2.08±0.1 g/cm3(预测)
pKa:12.95±0.70(预测)
PSA:143.72
LogP:-2.3112
溶解性DMSO (Slightly), Methanol (Slightly, Sonicated)
外观形态白色至类白色固体
储存条件-20°C 冷藏

MSDS等安全信息

警示词warning
危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

1-(2,3-O-Isopropyliden-β-D-ribofuranosyl)-1H-1,2,4-triazol-5-carboxamid methyl 1-(2',3',3''-tri-O-benzoyl-apio-β-D-furanosyl)triazole-5-carboxylate 1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose methyl 1H-1,2,4-triazole-3-carboxylate

合成工艺路线路线简述

📜Methyl 1-(2',3',3''-Tri-O-Benzoyl-Apio-β-D-Furanosyl)Triazole-5-Carboxylate置于氨体系中,用甲醇作为反应溶剂,化学反应生成利巴韦林杂质g
参考文献:Vorbrueggen,Helmut; Krolikiewicz,Konrad; Bennua,Baerbel,Chemische Berichte,1981,Vol. 114,# 4,P. 1234-1255
标题:Vorbrueggen,Helmut; Krolikiewicz,Konrad; Bennua,Baerbel,Chemische Berichte,1981,Vol. 114,# 4,P. 1234-1255