Taurocholic acid

Description

Taurocholic acid · CAS 81-24-3 · C26H45NO7S. UNII 5E090O0G3Z. Melting Point: 125; Melting Point: Decomposes about 125 °C; Melting Point: 125 °C.

Identification

CAS Registry Number	81-24-3
PubChem CID	6675
Molecular formula	C26H45NO7S
IUPAC name	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]ethanesulfonic acid
UNII (FDA)	5E090O0G3Z

Computed Descriptors

Molecular Weight	515.7
XLogP3	2.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	515.29167395
Monoisotopic Mass	515.29167395
Topological Polar Surface Area	153
Heavy Atom Count	35
Formal Charge	0

Physical & Chemical Properties

Melting Point	125
Melting Point	Decomposes about 125 °C
Melting Point	125 °C
Ionization Efficiency	0.91
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1038/s41598-020-62573-z
Ionization Efficiency	1.74
Ionization Efficiency	10.5
Dissociation Constants	pKa = 1.4

Physical description & handling notes

• Solid
• Clusters of slender, four-sided prisms from alcohol + ether
• Crystals
• Very soluble in water and ethanol; slightly soluble in ether and ethyl acetate
• Freely soluble in water; soluble in alcohol; almost insoluble in ether and ethyl acetate
• log Kow = 0.20 at 25 °C, pH 1; log Kow = -0.50 at 25 °C, pH 7

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: Use unspecified

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• Sodium salt is a lipase accelerator; Choleretic
• Biochemical research; emulsifying agent in foods (not over 0.1%)
• Sodium salt is a lipase accelerator. Also used as a method for the quantification of conjugated bile acids in dried blood spots using electrospray ionization-mass spectrometry. Choleretic
• Ingested as a constituent of ox bile extract used as a food additive
• For more Uses (Complete) data for TAUROCHOLIC ACID (6 total), please visit the HSDB record page.
• The product of conjugation of cholic acid with taurine.

Synonyms

TAUROCHOLIC ACID; 81-24-3; Cholyltaurine; Cholaic acid; N-Choloyltaurine; Cholic acid taurine conjugate; Taurine, N-choloyl-; Acidum cholatauricum; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine; 5E090O0G3Z; 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid; NSC-25505; Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-; CHEBI:28865; DTXSID00883259; N-(3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oyl)-taurine

Frequently Asked Questions

What are the CAS number and molecular formula of Taurocholic acid?

CAS 81-24-3; molecular formula C26H45NO7S; molecular weight — g/mol.

What other names is Taurocholic acid known by?

TAUROCHOLIC ACID, 81-24-3, Cholyltaurine, Cholaic acid, N-Choloyltaurine, Cholic acid taurine conjugate.

What is the regulatory status of Taurocholic acid?

Documented regulatory listings: FDA Substance added to food: Use unspecified.

Is Taurocholic acid classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of Taurocholic acid?

Melting Point: 125; Melting Point: Decomposes about 125 °C; Melting Point: 125 °C; Ionization Efficiency: 0.91.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.