Sodi­um Tau­ro Deoxy­cholate Hydrate CAS 207737-97-1

• Iden­ti­fi­ca­tion
• Prop­er­ties
• Safe­ty Data
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Iden­ti­fi­ca­tion

CAS Number

207737-97-1

Name

Sodi­um Tau­ro Deoxy­cholate Hydrate

Syn­onyms

2-([3α,12α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid
2-{[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]amino}éthanesulfonate de sodi­um, hydrate (1:1:1) [French] [ACD/IUPAC Name]
207737-97-1 [RN]
Ethane­sul­fon­ic acid, 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-, sodi­um salt, hydrate (1:1:1) [ACD/​Index Name]
MFCD00149238
Natrium-2-{[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethansulfonathydrat (1:1:1) [Ger­man] [ACD/IUPAC Name]
sodi­um 2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate hydrate
Sodi­um 2-{[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (1:1:1) [ACD/IUPAC Name]
sodi­um hydrate tau­rodeoxy­cholate
Sodi­um tau­rodeoxy­cholate hydrate
Tau­rodeoxy­cholic acid sodi­um salt hydrate
[207737-97-1] [RN]
110026-03-4 [RN]
1180-95-6 [RN]
C[C@]1([C@H]2O)C@([O-])=O)=O)([H])C@@([H])C@@([H])C@(C)[C@@]3([H])C[C@@H]4O.O.[Na+]
Sodi­um 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate xhy­drate
sodi­um and 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate and hydrate
Sodi­um tau­rodeoxy­cholate mono­hy­drate
Sodi­um tau­rodeoxy­cholate xhy­drate
Tau­rodeoxy­cholic acid sodi­um salt mono­hy­drate
Tau­rodeoxy­choli­cacid­sodi­um­salt­mono­hy­drate

SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.O.[Na+]

Std­InChI

InChI=1S/C26H45NO6S.Na.H2O/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);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1

Std­InChIKey

OLPIZA­­YYAVQETM-GGPRKOIF­SA-M

Mol­e­c­u­lar Formula

C₂₆H₄₆NNaO₇S

Mol­e­c­u­lar Weight

539.701

EINECS

805-952-8

Beil­stein Reg­istry Number

3901204

MDL Number

MFCD00149238

Prop­er­ties

Appear­ance

White to off white powder

Safe­ty Data

Sym­bol

Sig­nal Word

Warn­ing

WGK Germany

3

MSDS Download

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our 

Iden­ti­fi­ca­tion Methods

Assay

98% min

Melt­ing point

≥168.0°C

Heavy Met­als

≤20ppm

Loss on Drying

≤5.0%

Shelf Life

2 years

Stor­age

Store at room tem­per­a­ture ; Sealed and away from light ; Keep dry

Known Appli­ca­tion

Gen­er­al View of Documents

Links

This prod­uct is devel­oped by our R&D com­pa­ny Warshel Chem­i­cal Ltd (https://​www​.warshel​.com/).

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