Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Taurodeoxycholic acid (Taurodeoxychloic acid) is a bile acid taurine conjugate of deoxycholic acid, a human metabolite that stabilizes mitochondrial membranes and reduces the formation of free radicals.Taurodeoxycholic acid inhibits apoptosis by blocking calcium-mediated apoptotic pathways and by activation of caspase-12. Taurodeoxycholic acid has neuroprotective activity and has been used to study 3-nitropropionic acid-induced or stabilized hereditary Huntington's chorea (HD).
| Sonrisas canónicas | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
|---|---|
| IUPAC Name | 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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]ethanesulfonic acid |
| InChIKey | AWDRATDZQPNJFN-VAYUFCLWSA-N |
| INCHI | 1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
| Isómeros SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| Peso molecular | 499.70 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Steroids and steroid derivatives |
| Subclass | Bile acids, alcohols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Taurinated bile acids and derivatives |
| Alternative Parents | Dihydroxy bile acids, alcohols and derivatives 3-alpha-hydroxysteroids 12-hydroxysteroids N-acyl amines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Taurinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Fatty amide - Fatty acyl - N-acyl-amine - Cyclic alcohol - Alkanesulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety. |
| External Descriptors | Taurine conjugates |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Sep 28, 2025 | T336191 | |
| Certificate of Analysis | Sep 28, 2025 | T336191 | |
| Certificate of Analysis | Sep 28, 2025 | T336191 | |
| Certificate of Analysis | Sep 28, 2025 | T336191 |
| Sensibilidad | light sensitive |
|---|---|
| Peso molecular | 499.700 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 499.297 Da |
| Monoisotopic Mass | 499.297 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 858.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jing Kong, Mingyuan Li, Yutong Li, Min Liu, Qian Zhang, Jie Liu, HongZhuan Xuan. (2023) Effect of the bile salt surfactant sodium taurodeoxycholate on the physicochemical properties of a mixed system of Galangin-Hemoglobin and Baicalein-Hemoglobin. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2023.123302] |
| 2. Wang Rulin, Yuan Tengteng, Sun Jing, Yang Menghuan, Chen Yunna, Wang Lei, Wang Yanyan, Chen Weidong, Peng Daiyin. (2022) Paeoniflorin alleviates 17α-ethinylestradiol-induced cholestasis via the farnesoid X receptor-mediated bile acid homeostasis signaling pathway in rats. Frontiers in Pharmacology, [PMID:36479204] [10.3389/fphar.2022.1064653] |
| 3. Wei Xu, Yingying Kong, Tuo Zhang, Zhihua Gong, Wenjun Xiao. (2022) L-Theanine regulates lipid metabolism by modulating gut microbiota and bile acid metabolism. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 103 (3): (1283-1293). [PMID:36087337] [10.1002/jsfa.12222] |
| 4. Cui Xiping, He Qiyi, Yang Huiyi, Chen Yingshan, Shen Ding, Eremin Sergei A., Mu Yunping, Zhao Suqing. (2021) Development of enzyme-free single-step immunoassays for glycocholic acid based on palladium nanoparticle-mediated signal generation. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 413 (23): (5733-5742). [PMID:34476526] [10.1007/s00216-021-03548-5] |
| 5. Qiyi He, Yanxiong Fang, Huiyi Yang, Ding Shen, Yingshan Chen, Yingying Zhong, Xiangguang Li, Sergei A. Eremin, Xiping Cui, Suqing Zhao. (2021) Enhanced performance of a surface plasmon resonance-based immunosensor for the detection of glycocholic acid. Analytical Methods, 13 (16): (1919-1924). [PMID:33913980] [10.1039/D1AY00357G] |
| 6. Chen Lirong, Guo Yuqiu, Li Xiaoyue, Gong Kuijie, Liu Kaichang. (2021) Phenolics and related in vitro functional activities of different varieties of fresh waxy corn: a whole grain. BMC Chemistry, 15 (1): (1-9). [PMID:33648574] [10.1186/s13065-021-00740-7] |
| 7. Yuan Gao, Yujun Liu, Mengying Sun, Heping Zhang, Guangqing Mu, Yanfeng Tuo. (2020) Physiological function analysis of Lactobacillus plantarum Y44 based on genotypic and phenotypic characteristics. JOURNAL OF DAIRY SCIENCE, [PMID:32418691] [10.3168/jds.2019-18047] |
| 8. Dong-Sheng Zhao, Li-Long Jiang, Ya-Xi Fan, Lei-Chi Dong, Jiang Ma, Xin Dong, Xiao-Jun Xu, Ping Li, Hui-Jun Li. (2017) Identification of urine tauro-β-muricholic acid as a promising biomarker in Polygoni Multiflori Radix-induced hepatotoxicity by targeted metabolomics of bile acids. FOOD AND CHEMICAL TOXICOLOGY, [PMID:28237774] [10.1016/j.fct.2017.02.030] |
| 9. Guan-Lin Chen, Song-Gen Chen, Ying-Qing Xie, Fu Chen, Ying-Ying Zhao, Chun-Xia Luo, Yong-Qing Gao. (2015) Total phenolic, flavonoid and antioxidant activity of 23 edible flowers subjected to in vitro digestion. Journal of Functional Foods, [PMID:] [10.1016/j.jff.2015.05.028] |
| 10. Fangli Yang, Ke Lv, Xu Zhao, Derui Kong, Na Kong, Zirong Luo, Jinlong Tao, Ji Zhou, Joselito M. Razal, Jizhen Zhang. (2024) Hierarchical heterostructures of MXene and mesoporous hollow carbon sphere for improved ion accessibility and rate performance. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.153246] |
| 11. Guan-Lin Chen, Song-Gen Chen, Fu Chen, Ying-Qing Xie, Men-Di Han, Chun-Xia Luo, Ying-Ying Zhao, Yong-Qing Gao. (2015) Nutraceutical potential and antioxidant benefits of selected fruit seeds subjected to an in vitro digestion. Journal of Functional Foods, [PMID:] [10.1016/j.jff.2015.11.003] |
| 12. Xu Zhao, Zirong Luo, Tuanzhang Li, Wenfa Mao, Fangting Mo, Yanqiu Shao, Shuang Li, Jizhen Zhang, Na Kong, Jihua Li, Jinlong Tao. (2025) Scalable wet-spun stretchable conductive fibers with SWCNT-enhanced mechanical and electrical properties for multifunctional wearables. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.171622] |