Taurocholic acid (CAS 81-24-3) — formula C26H45NO7S, molecular weight 515.7; category organic chemicals.
| CAS Number | 81-24-3 |
|---|---|
| Molecular Formula | C26H45NO7S |
| Molecular Weight | 515.7 |
| Melting Point | 125 |
| LogP | 2.2 |
| Applications | 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., Methods of Manufacturing: The product of conjugation of cholic acid with taurine., Isolation from bile., General Manufacturing Information: Ethanesulfonic acid, 2-[[(3.alpha., 5.beta., 7.alpha., 12.alpha.)-3, 7, 12-trihydroxy-24-oxocholan-24-yl]amino]-: INACTIVE, Cholic acid, chenodeoxycholic acid, and deoxycholic acid constitute 95% of bile acids... The bile acids exist largely as glycine, 75%, and taurine, 24%, conjugates, the salts of which are called bile salts., Taurocholic acid, occurs as a sodium salt in the bile. |
| Category | Organic Chemicals |
Documented applications: 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., Methods of Manufacturing: The product of conjugation of cholic acid with taurine., Isolation from bile., General Manufacturing Information: Ethanesulfonic acid, 2-[[(3.alpha., 5.beta., 7.alpha., 12.alpha.)-3, 7, 12-trihydroxy-24-oxocholan-24-yl]amino]-: INACTIVE, Cholic acid, chenodeoxycholic acid, and deoxycholic acid constitute 95% of bile acids... The bile acids exist largely as glycine, 75%, and taurine, 24%, conjugates, the salts of which are called bile salts., Taurocholic acid, occurs as a sodium salt in the bile..
Taurocholic acid is a carbon-based organic compound with CAS registry number 81-24-3 and molecular formula C26H45NO7S (molecular weight 515.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81-24-3
Its molecular formula C26H45NO7S comprises 26 C, 45 H, 1 N, 7 O, 1 S atoms.
Also known as: Taurocholic acid · 牛磺胆酸
Category: organic chemicals
The CAS registry number of Taurocholic acid is 81-24-3.
Molecular formula C26H45NO7S, molecular weight 515.7.
It is also registered under: Taurocholic acid, 牛磺胆酸.
Recorded applications: 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., Methods of Manufacturing: The product of conjugation of cholic acid with taurine., Isolation from bile., General Manufacturing Information: Ethanesulfonic acid, 2-[[(3.alpha., 5.beta., 7.alpha., 12.alpha.)-3, 7, 12-trihydroxy-24-oxocholan-24-yl]amino]-: INACTIVE, Cholic acid, chenodeoxycholic acid, and deoxycholic acid constitute 95% of bile acids... The bile acids exist largely as glycine, 75%, and taurine, 24%, conjugates, the salts of which are called bile salts., Taurocholic acid, occurs as a sodium salt in the bile..
Category: Organic Chemicals.
Independent reference data for Taurocholic acid (CAS 81-24-3), compiled from public chemistry databases.
| 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 |
| 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 |
| 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 |
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
| Regulatory & Food Contact | FDA Substance added to food: Use unspecified |
|---|
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Taurocholic acid · CAS 81-24-3 · C26H45NO7S. UNII 5E090O0G3Z. Melting Point: 125; Melting Point: Decomposes about 125 °C; Melting Point: 125 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 牛磺胆酸