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Taurolithocholic Acid Sodium Salt-[d5]

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General Information
Catalog: BLP-004544
CAS: 1265476-97-8
Molecular Formula: C26H39D5NNaO5S
Molecular Weight: 510.72

Chemical Structure

Description	A labelled bile acid which inhibits radioligand binding to muscarinic M1, but not to M2 or M3 receptors.
Synonyms	2-[[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl-d5]amino]ethanesulfonic Acid Sodium Salt; N-(3α-Hydroxy-5β-cholan-24-oyl)taurine-d5 Monosodium Salt; NSC 681057-d5; Sodium Taurolithocholate-d5
IUPAC Name	sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
Related CAS	6042-32-6 (unlabelled)
Canonical SMILES	CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]
InChI	InChI=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/i10D2,16D2,19D;
InChI Key	YAERYJYXPRIDTO-CQRAWABASA-M
Melting Point	200-205°C
Purity	>98%
Solubility	Soluble in Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at -20°C