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牛磺胆酸钠 | 145-42-6

牛磺胆酸钠
Sodium taurocholate
145-42-6
C26H44NNaO7S
537.6848
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:牛磺胆酸钠结构式
329824184
牛磺胆酸钠价格
名称和标识符
MDL MFCD00013050
InChIKey JAJWGJBVLPIOOH-IZYKLYLVSA-M
Inchi 1S/C26H45NO7S.Na/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;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
SMILES S(C([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@@]([H])(C([H])([H])[C@]4([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@@]([H])([C@@]21C([H])([H])[H])O[H])O[H])O[H])=O)(=O)(=O)[O-].[Na+]
别名信息
- 中文别名 -
  • 牛磺胆酸钠
  • 牛胆酸钠盐
  • 牛胆酸钠水合物
  • 牛磺胆酸钠盐
  • 牛黄胆酸钠
  • 水合牛磺胆酸钠
  • 牛磺膽酸鈉
  • 牛磺胆酸钠,从牛胆中所得
  • 牛磺胆酸钠盐 水合物
  • Sodium Taurocholate from Bovine Bile 牛磺胆酸钠,从牛胆中所得
  • Taurocholic acid sodium salt 牛磺胆酸钠
  • 钠牛磺胆酸盐BRP EP标准品
  • 牛黄胆酸钠(水合)
  • 牛磺胆酸
  • 牛磺胆酸碱 USP标准品
  • 牛磺胆酸钠 标准品
  • 牛磺胆酸钠(标准品)
  • 牛磺胆酸钠.
  • 牛磺胆酸钠水合物
  • 牛磺胆酸钠盐 标准品
  • 试验级牛磺胆酸钠
  • 乙酸己酯
  • L-烯丙基甘氨酸
  • 胆酸钠
  • 牛胆酸钠
  • 牛胆酸钠,牛胆酸钠盐
  • 牛黄胆酸钠(牛胆酸钠,牛胆酸钠盐,牛磺膽酸鈉,牛磺胆酸钠,牛磺胆酸钠盐,牛胆酸钠水合物,水合牛磺胆酸钠,牛胆酸钠(混合物),牛黄胆酸钠(水合),牛磺胆酸钠(标准品))
  • 水合牛磺胆酸钠 (来自牛胆汁)
  • 纯天然牛磺胆酸钠
  • 牛磺胆酸 钠盐
  • 牛磺胆酸钠厂家
  • 牛磺胆酸钠/批发
- 英文别名 -
  • 2-([3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-24-OXO-5-BETA-CHOLAN-24-YL]AMINO)ETHANESULFONIC ACID
  • 2-[(3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-24-OXO-5BETA-CHOLAN-24-YL)-AMINO] ETHANESULFONIC ACID SODIUM SALT
  • 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE SODIUM SALT
  • 3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC ACID N-(2-SULPHOETHYL)AMIDE
  • 5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE-3ALPHA,7ALPHA,12ALPHA-TRIOL SODIUM SALT
  • 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL 24-N-(2-SULFOETHYL) AMIDE SODIUM
  • 5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE SODIUM SALT
  • SODIUM TAUROCHOLATE
  • SODIUM TAUROCHOLATE HYDRATE
  • TAUROCHOLIC ACID NA-SALT
  • TAUROCHOLIC ACID SODIUM SALT
  • monosodiumtaurocholicacid
  • n-choloyl-taurinsodiumsalt
  • taurocholatesodium
  • taurocholatesodiumsalt
  • sodium N-choloyltaurinate
  • TAUROCHOLIC ACID SODIUM, CRUDE FROM OX*BILE
  • SODIUM TAUROCHOLATE ( FOR BACTERIOLOGY )
  • Taurocholic acid, sodium salt hydrate, tech
  • Sodium Taurocholate from Bovine Bile
  • SODIUM TAUROCHOLATE, FOR MICROBIOLOGY
  • Taurocholic Acid (sodium salt)
  • TAUROCHOLIC ACID SODIUM SALT(RG)
  • Taurocholic acid
  • Taurocholic acid sodium salt hydrate
  • (S)-(-)-2-AMino-4-pentenoic acid hydrochloride
  • Bile Salts (10 g)
  • froM Bovine Bile
  • taurochlolic acid sodium salt
  • taurocholate sodiuM sal
  • Taurocholic Acid Sodium Salt from Bovine Bile
  • Taurocholic sodium
  • Sodium 2-[(3a,7a,12a-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
  • mon
  • Monosodium taurocholate
  • Taurocholic Acid, Sodium Salt
  • Taurodehydrocholic Acid Sodium Salt
  • Sodium
  • 2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy
  • Taurocholate sodium
  • Taurocholate sodium salt
  • Monosodium N-choloyltaurinate
  • M6N3TH81NO
  • Monosodium taurocholic acid
  • na-taurocholate
  • Taurocholic acid sodium salt
  • Monosodiumtaurocholate
  • NS00079070
  • sodium
  • 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
  • Taurocholic acid sodium salt, 500 mug/mL in methanol (as free sulfate), certified reference material
  • 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 (1:1)
  • Monosodium 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonate
  • Taurocholic acid (sodium)
  • CHEMBL443728
  • SODIUM TAUROCHOLATE [WHO-DD]
  • T0808
  • CS-0009073
  • 145-42-6 (Sodium)
  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt
  • CCRIS 5580
  • 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
  • SCHEMBL4254
  • HY-N0545
  • Taurine, N-choloyl-, sodium salt
  • Q25474127
  • Sodium
  • 2-[[(4R)-4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
  • Taurine, N-choloyl-, monosodium salt
  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, sodium salt (1:1)
  • AKOS016036224
  • Sodium taurocholate hydrate
  • 145-42-6
  • JAJWGJBVLPIOOH-IZYKLYLVSA-M
  • EINECS 205-653-7
  • Ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)
  • sodium taurocholate
  • CHEBI:36276
  • sodium 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
  • Sodium N-choloyltaurinate
  • UNII-M6N3TH81NO
物化性质
实验特性
LogP 3.49720
PSA 155.37000
Merck 9075
折射率 23 ° (C=3, H2O)
水溶性 > 250 g/L (20 ºC)
沸点 °Cat760mmHg
熔点 230 ºC
闪点 9℃
溶解度 H2O: 0.5 M at 20 °C, clear, colorless to faintly yellow
浓度 500 μg/mL in methanol (as free sulfate)
颜色与性状 无色结晶(含1.5或2分子结晶水)。先甜而后苦。有吸湿性。有刺激性。 2. 熔点(℃)
敏感性 易吸潮
比旋光度 23 º (c=3 H2O)
密度 1.177 g/cm3(Temp: 22.5 °C)
计算特性
精确分子量 537.27400
氢键供体数量 4
氢键受体数量 7
可旋转化学键数量 7
同位素质量 537.274
重原子数量 36
复杂度 897
同位素原子数量 0
确定原子立构中心数量 11
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.2
表面电荷 0
拓扑分子极性表面积 155
分子量 537.7
国际标准相关数据
EINECS 5580
专业数据库参考
PubChemId 329824184
参考资料
Reaxys RN 3901620
Beilstein 3901620
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