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Chemistry

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Also known as: 1180-95-6, Taurodeoxycholate sodium salt, Taurodeoxycholic acid sodium salt, Sodium taurodeoxylate, Taurodeoxycholate (sodium salt), 5pe424s83l
Molecular Formula
C26H44NNaO6S
Molecular Weight
521.7  g/mol
InChI Key
YXHRQQJFKOHLAP-FVCKGWAHSA-M
FDA UNII
5PE424S83L

Taurodeoxycholic Acid
A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.
1 2D Structure

Taurodeoxycholic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;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]ethanesulfonate
2.1.2 InChI
InChI=1S/C26H45NO6S.Na/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);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1
2.1.3 InChI Key
YXHRQQJFKOHLAP-FVCKGWAHSA-M
2.1.4 Canonical SMILES
CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
2.1.5 Isomeric 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.[Na+]
2.2 Other Identifiers
2.2.1 UNII
5PE424S83L
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Acid, Taurodeoxycholic

2. Deoxycholate, Taurine

3. Deoxycholyltaurine

4. Taurine Deoxycholate

5. Taurodeoxycholate

6. Taurodeoxycholate, Sodium

7. Taurodeoxycholic Acid

2.3.2 Depositor-Supplied Synonyms

1. 1180-95-6

2. Taurodeoxycholate Sodium Salt

3. Taurodeoxycholic Acid Sodium Salt

4. Sodium Taurodeoxylate

5. Taurodeoxycholate (sodium Salt)

6. 5pe424s83l

7. Sodium;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]ethanesulfonate

8. Taurodeoxycholic Acid Sodium Salt Hydrate

9. Sodium 2-((r)-4-((3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate

10. Taurodeoxycholic Acid Sodium

11. Unii-5pe424s83l

12. Mfcd00003671

13. Einecs 214-652-0

14. Akos016009415

15. Cs-w006298

16. Ac-34550

17. Sodium 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)ethane-1-sulphonate

18. Hy-128853

19. S-6561

20. A836010

21. A893216

22. Q27262693

23. 5beta-cholanic Acid-3alpha,12alpha-diol N-(2-sulphoethyl)-amide Sodium Salt

24. Sodium 2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate

25. Ethanesulfonic Acid, 2-(((3.alpha.,5.beta.,12.alpha.)-3,12-dihydroxy-24-oxocholan-24-yl)amino)-, Monosodium Salt

26. Sodium 2-((4r)-4-((3r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate

27. Sodium2-((r)-4-((3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate

28. Taurodeoxycholic Acid Sodium Salt; Sodium 2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate;taurodeoxycholate Sodium Salt

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 521.7 g/mol
Molecular Formula C26H44NNaO6S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass521.27870358 g/mol
Monoisotopic Mass521.27870358 g/mol
Topological Polar Surface Area135 Ų
Heavy Atom Count35
Formal Charge0
Complexity864
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Cholagogues and Choleretics

Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic). (See all compounds classified as Cholagogues and Choleretics.)


Detergents

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)


API Reference Price

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20-Feb-2021
03-Jun-2023
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ABOUT THIS PAGE

Taurodeoxycholic Acid Manufacturers

A Taurodeoxycholic Acid manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Taurodeoxycholic Acid, including repackagers and relabelers. The FDA regulates Taurodeoxycholic Acid manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Taurodeoxycholic Acid API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Taurodeoxycholic Acid manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Taurodeoxycholic Acid Suppliers

A Taurodeoxycholic Acid supplier is an individual or a company that provides Taurodeoxycholic Acid active pharmaceutical ingredient (API) or Taurodeoxycholic Acid finished formulations upon request. The Taurodeoxycholic Acid suppliers may include Taurodeoxycholic Acid API manufacturers, exporters, distributors and traders.

click here to find a list of Taurodeoxycholic Acid suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Taurodeoxycholic Acid GMP

Taurodeoxycholic Acid Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Taurodeoxycholic Acid GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Taurodeoxycholic Acid GMP manufacturer or Taurodeoxycholic Acid GMP API supplier for your needs.

Taurodeoxycholic Acid CoA

A Taurodeoxycholic Acid CoA (Certificate of Analysis) is a formal document that attests to Taurodeoxycholic Acid's compliance with Taurodeoxycholic Acid specifications and serves as a tool for batch-level quality control.

Taurodeoxycholic Acid CoA mostly includes findings from lab analyses of a specific batch. For each Taurodeoxycholic Acid CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Taurodeoxycholic Acid may be tested according to a variety of international standards, such as European Pharmacopoeia (Taurodeoxycholic Acid EP), Taurodeoxycholic Acid JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Taurodeoxycholic Acid USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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