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81-24-3

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81-24-3 Structure

81-24-3 Structure
IdentificationBack Directory
[Name]

TAUROCHOLIC ACID
[CAS]

81-24-3
[Synonyms]

C05122
Cholaic
taurocholate
Cholytaurine
aurocholicaci
cholyltaurine
n-choloyltaurine
TAUROCHOLIC ACID
n-choloyl-taurin
TAURODEOXYCHOLATE
TAURINE,N-CHOLOYL-
cholan-24-yl)amino)-
-oxocholan-24-yl]amino]-
cholicacidtaurineconjugate
Taurocholic Acid MaxSpec? Standard
3,7,12-Trihydroxy-5-cholan-24-oicacid24-taurineamide
2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
2-[[3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl]amino]ethanesulfonic acid
5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE
ethanesulfonicacid,2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxo
2-((3-alpha,7-alpha,12-alpha-trihydroxy-24-oxo-5-beta-cholan-24-yl)amino)ethan
2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]ethanesulphonic acid
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-sulfonic acid
2-[4-[(3R,5S,7R,12S)-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]pentanoylamino]ethanesulfonic acid
[EINECS(EC#)]

201-336-2
[Molecular Formula]

C26H45NO7S
[MDL Number]

MFCD00053458
[MOL File]

81-24-3.mol
[Molecular Weight]

515.7
Chemical PropertiesBack Directory
[Melting point ]

125°C (rough estimate)
[alpha ]

D18 +38.8° (c = 2 in alcohol)
[density ]

1.0902 (rough estimate)
[refractive index ]

1.5650 (estimate)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Ethanol (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

1.4(at 25℃)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[LogP]

0.247 (est)
[EPA Substance Registry System]

Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]- (81-24-3)
Raw materials And Preparation ProductsBack Directory
Safety DataBack Directory
[Hazardous Substances Data]

81-24-3(Hazardous Substances Data)
[Toxicity]

LD50 in newborn rats: 380 mg/kg (Klaassen)
Hazard InformationBack Directory
[Chemical Properties]

Crystals. Stable in air. Freely soluble in water; soluble in alcohol, almost insoluble in ether and ethyl acetate.
[Uses]

anti-inflammatory
[Definition]

ChEBI: A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals.
[storage]

Store at -20°C
[Purification Methods]

Crystallise the acid from EtOH/EtOAc/Et2O (amorphous m 125o) or EtOH/Et2O [Josephson Biochem J 29 1484 1935]. The sodium salt (hydrate) [312693-83-7, 345909-26-4 (xH2O)] crystallises from aqueous EtOH/Et2O with m 231-232o, [] D 23 +25.2o (c 1, H2O); and has max (H2SO4) at 303, 389 and 480nm. [Beilstein 10 III 2177, 10 IV 2078.]
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