CAS: 345909-26-4; Sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthren-17-yl)Pentanamido)Ethane-1-Sulfonate Hydrate

• 英文名称Sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthren-17-yl)Pentanamido)Ethane-1-Sulfonate Hydrate
• 中文名称牛胆酸钠
• 其它别名TAUR°CHOLIC ACID, SODIUM SALT HYDRATE, 9 7%; TAUR°CHOLIC ACID SODIUM SALT HYDRATE, MI XTURE; TAUR°CHOLIC ACID SODIUM SALT HYDRATE, SIGMAULTRA; 2-[(3a,7a,12a-trihydroxy-24-oxo-5b-cholan-24-yl)amino]ethanesulfonic acid; Sodium taur°Cholate hydrate, 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide, 2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid; Taur°Cholic acid hydrate sodium salt; Taur°Cholic acid, sodium salt hydrate,
• CAS编号345909-26-4
• MFCD编号:MFCD00150132
• EINECS号:804-788-4
• 分子式:C26H46NNaO8S
• 分子量:555.7
• 产品CID: 1349642
• 产品分类原料药 → 消化系统用药 → 利胆药

• 相似结构搜索
• InChIKey: RDAJAQDLEFHVNR-YHZLLIFESA-M
• 1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,2…
• 计算化学: 氢键受体数8.0氢键供体数5.0可旋转键数7.0

物理性质

• 熔点230 °C
• 沸点230
• PSA:164.6
• LogP:3.4329
• 溶解性H2O: 50mg/mL, clear
• 外观形态灰白色至黄色固体
• 储存条件Refrigerator

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264Thoroughly clean after treatmentP280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective maskP305If it enters the eyesP351Rinse carefully with water for a few minutesP338Remove the contact lens(If any)And easy to operate,Continue flushingP337If eye irritation persistsP313Obtain medical advice/care
• UN编号NONH for all modes of transport
• 安全声明24/25
• WGK Germany3

欧盟法规

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