Basic Description

Synonyms	6V4571KSKE \| Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha)- \| S0941 \| CCRIS 637 \| sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
Specifications & Purity	≥97%
Biochemical and Physiological Mechanisms	Bile Salt
Shipped In	Normal
Product Description	Chenodeoxycholic Acid, Sodium Salt is a bile acid that has been shown to increase intracellular Ca2+ in isolated rat hepatocyte couplets. Induces a permeability transition in freshly isolated rat liver mitochondria. A bile acid used in rat hepatocyte studies

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Bile acids, alcohols and derivatives
      - Level5 Hydroxy bile acids, alcohols and derivatives
        Level6 Dihydroxy bile acids, alcohols and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Bile acids, alcohols and derivatives
Intermediate Tree Nodes	Hydroxy bile acids, alcohols and derivatives
Direct Parent	Dihydroxy bile acids, alcohols and derivatives
Alternative Parents	7-hydroxysteroids 3-alpha-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Cyclic alcohol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488200574
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200574
IUPAC Name	sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoate
INCHI	InChI=1S/C24H40O4.Na/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1
InChIKey	WDFRNBJHDMUMBL-OICFXQLMSA-M
Smiles	CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
Isomeric SMILES	C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
WGK Germany	3
PubChem CID	23696998
Molecular Weight	414.55

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
A2404616	Certificate of Analysis	Nov 24, 2023	S102128
E2520087	Certificate of Analysis	Nov 24, 2023	S102128
D2501646	Certificate of Analysis	Nov 24, 2023	S102128
D23261136	Certificate of Analysis	Aug 16, 2021	S102128
D23261133	Certificate of Analysis	Aug 16, 2021	S102128

Chemical and Physical Properties

Solubility	Soluble in water (20 mg/ml), and Aqueous buffers (20 mg/ml).
Melt Point(°C)	298 °C(dec.)
Molecular Weight	414.600 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	414.275 Da
Monoisotopic Mass	414.275 Da
Topological Polar Surface Area	80.600 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	612.000
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	2

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Ping Li, Yiting Yang, Zijin Lin, Shijin Hong, Ling Jiang, Han Zhou, Lu Yang, Liang Zhu, Xiaodong Liu, Li Liu. (2022) Bile Duct Ligation Impairs Function and Expression of Mrp1 at Rat Blood–Retinal Barrier via Bilirubin-Induced P38 MAPK Pathway Activations. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 23 (14): (7666).

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SKU	Size	Availability	Price
S102128-250mg	250mg	3	$23.90
S102128-1g	1g	10	$72.90
S102128-5g	5g	10	$327.90
S102128-25g	25g	1	$1,475.90

Sodium chenodeoxycholate - 97%, high purity , CAS No.2646-38-0