Structural formula of Sodium Taurocholate

Sodium Taurocholate

Product number: 65-1012
CAS number: 145-42-6
Synonyms: Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt, Taurocholate sodium, Monosodium taurocholate, Taurine, N-choloyl-, monosodium salt, Taurocholic acid sodium salt, Taurocholic acid monosodium salt, Sodium taurocholate

Identifiers

CAS Index Name: Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)
Molecular formula: C26H45NO7S.Na
Molecular weight: 538.69
Smiles: [Na].O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric Smiles: O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCCS(=O)(=O)O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H].[Na]
InChI: InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
InChIKey: InChIKey=LHLYEKPSOJJBMK-IZYKLYLVSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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65-1012-13Sodium Taurocholate - 1 g392.00 €
65-1012-9Sodium Taurocholate - 100 mg177.00 €