Taurodeoxycholic Acid Sodium Salt
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Product Description
Product
Taurodeoxycholic Acid Sodium Salt
CAS
1180-95-6
Formula
C26H44NNaO6S; C26H45NO6S.Na
Synonym
TAURODEOXYCHOLIC ACID SODIUM SALT; SODIUM TAURODEOXYCHOLATE; Na; Registry Numbers CAS Registry Number 1180-95-6; Taurodeoxycholic acid sodium salt hydrate; UNII-5PE424S83L; SODIUM TAURODEOXYCHOLATE SODIUM SALT; SODIUM TAURODESOXYCHOLATE SODIUM SALT; System Generated Number 0001180956; Systematic Name Sodium 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)ethane-1-sulphonate; TAURODEOXYCHOLIC ACID SODIUM; 2-[(3ALPHA,12ALPHA-DIHYDROXY-24-OXO-5BETA-CHOLAN-24-YL)-AMINO] ETHANESULFONIC ACID SODIUM SALT; 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 24-N-(2-SULFOETHYL)-AMIDE SODIUM; COMPONENT; EINECS 214-652-0; FDA UNII 5PE424S83L; Molecular Formula Fragments C26-H45-N-O6-S; Molecular Formulas ?Molecular Formula C26-H45-N-O6-S.Na
Typical Product Specifications
Molecular weight
521.69
EINECS
214-652-0
SMILES
[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI
YXHRQQJFKOHLAP-FVCKGWAHSA-M
InChIKey
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
Water solubility
soluble
Storage Temperature
Freezer (-20°C)
Melting Point
168 °C (dec.)
Alpha
33 º (c=3, water)
Solubility
H2O: 0.5 M at 20 °C, clear, colorless to faintly yellow
Class
Taurodeoxycholic Acid Sodium Salt
Product Description
Product
Taurodeoxycholic Acid Sodium Salt
CAS
1180-95-6
Formula
C26H44NNaO6S; C26H45NO6S.Na
Synonym
TAURODEOXYCHOLIC ACID SODIUM SALT; SODIUM TAURODEOXYCHOLATE; Na; Registry Numbers CAS Registry Number 1180-95-6; Taurodeoxycholic acid sodium salt hydrate; UNII-5PE424S83L; SODIUM TAURODEOXYCHOLATE SODIUM SALT; SODIUM TAURODESOXYCHOLATE SODIUM SALT; System Generated Number 0001180956; Systematic Name Sodium 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)ethane-1-sulphonate; TAURODEOXYCHOLIC ACID SODIUM; 2-[(3ALPHA,12ALPHA-DIHYDROXY-24-OXO-5BETA-CHOLAN-24-YL)-AMINO] ETHANESULFONIC ACID SODIUM SALT; 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 24-N-(2-SULFOETHYL)-AMIDE SODIUM; COMPONENT; EINECS 214-652-0; FDA UNII 5PE424S83L; Molecular Formula Fragments C26-H45-N-O6-S; Molecular Formulas ?Molecular Formula C26-H45-N-O6-S.Na
Typical Product Specifications
Molecular weight
521.69
EINECS
214-652-0
SMILES
[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI
YXHRQQJFKOHLAP-FVCKGWAHSA-M
InChIKey
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
Water solubility
soluble
Storage Temperature
Freezer (-20°C)
Melting Point
168 °C (dec.)
Alpha
33 º (c=3, water)
Solubility
H2O: 0.5 M at 20 °C, clear, colorless to faintly yellow
Class
