Analytenname

Taurolithocholic Acid-d5 Sodium Salt

CAS-Nummer

1265476-97-8

Molekularformel

C26H39D5NNaO5S

Molekulargewicht

510.72

Genaue Masse

510.3152

SMILES

[Na+].[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(=O)NCCS(=O)(=O)[O-]

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;

IUPAC

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

Nicht gekennzeichnete CAS-Nummer

Salt: 6042-32-6

SIL-Typ

Deuterium

Lagertemperatur

+4°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Metabolite; Stable Isotope Labelled

Produktformat

Neat

API-Familie

Taurolithocholic Acid

Purity

>95% (HPLC)