Taurolithocholic Acid Sodium Salt
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Product Description
Product
Taurolithocholic Acid Sodium Salt
CAS
6042-32-6
Formula
C26H44NNaO5S; C26H45NO5S.Na
Synonym
TAUROLITHOCHOLIC ACID SODIUM SALT; Na; 2-(((3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt; 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE SODIUM SALT; 5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE-3ALPHA-OL SODIUM SALT; 5BETA-CHOLANIC ACID-3ALPHA-OL 24-N-(2-SULFOETHYL)AMIDE SODIUM; 5-BETA-CHOLANIC ACID-3-ALPHA-OL N-(2-SULPHOETHYL)-AMIDE SODIUM SALT; COMPONENT; Molecular Formula Fragments C26-H45-N-O5-S; Molecular Formulas ?Molecular Formula C26-H45-N-O5-S.Na; Registry Numbers CAS Registry Number 6042-32-6; Related Registry Number 516-90-5 (Parent); Sodium taurolithocholate; SODIUM TAUROLITHOCHOLATE SODIUM SALT; System Generated Number 0006042326; Systematic Name Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-, monosodium salt; TAUROLITHIOCHOLIC ACID SODIUM
Typical Product Specifications
Molecular weight
505.69
SMILES
S(CCNC(CC[C@H]([C@@H]1[C@@]2([C@H]([C@@H]3CC[C@H]4[C@@]([C@@H]3CC2)(CC[C@H](O)C4)C)CC1)C)C)=O)(=O)(=O)[O-].[Na+]
InChI
YAERYJYXPRIDTO-XOGHUACDSA-M
InChIKey
1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23?,25+,26-;/m1./s1
Class
Taurolithocholic Acid Sodium Salt
Product Description
Product
Taurolithocholic Acid Sodium Salt
CAS
6042-32-6
Formula
C26H44NNaO5S; C26H45NO5S.Na
Synonym
TAUROLITHOCHOLIC ACID SODIUM SALT; Na; 2-(((3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt; 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE SODIUM SALT; 5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE-3ALPHA-OL SODIUM SALT; 5BETA-CHOLANIC ACID-3ALPHA-OL 24-N-(2-SULFOETHYL)AMIDE SODIUM; 5-BETA-CHOLANIC ACID-3-ALPHA-OL N-(2-SULPHOETHYL)-AMIDE SODIUM SALT; COMPONENT; Molecular Formula Fragments C26-H45-N-O5-S; Molecular Formulas ?Molecular Formula C26-H45-N-O5-S.Na; Registry Numbers CAS Registry Number 6042-32-6; Related Registry Number 516-90-5 (Parent); Sodium taurolithocholate; SODIUM TAUROLITHOCHOLATE SODIUM SALT; System Generated Number 0006042326; Systematic Name Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-, monosodium salt; TAUROLITHIOCHOLIC ACID SODIUM
Typical Product Specifications
Molecular weight
505.69
SMILES
S(CCNC(CC[C@H]([C@@H]1[C@@]2([C@H]([C@@H]3CC[C@H]4[C@@]([C@@H]3CC2)(CC[C@H](O)C4)C)CC1)C)C)=O)(=O)(=O)[O-].[Na+]
InChI
YAERYJYXPRIDTO-XOGHUACDSA-M
InChIKey
1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23?,25+,26-;/m1./s1
Class
