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
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 |
参考资料
Reaxys RN |
3901620 |
Beilstein |
3901620 |
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