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Sodium Tauroursodeoxycholate (TUDCA Sodium) extrapure, 98%

CAT: 0565-31102-01Size: 1 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
35807-85-3
Storage Temperature
2 - 8°C

Chemical Information

Taurursodiol sodium
CAS Number35807-85-3
PubChem CID46782978
IUPAC Namesodium 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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
Molecular FormulaC26H44NNaO6S
Molecular Weight521.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity864
SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
InChI
InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-;/m1./s1
InChIKey
IYPNVUSIMGAJFC-JUWYWQLMSA-M
Chemical Structure
2D Structure
2D structure of Taurursodiol sodium
CAS: 35807-85-3
CID: 46782978
Formula: C26H44NNaO6S
MW: 521.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass521.27870358
Monoisotopic Mass521.27870358
Topological Polar Surface Area135 Ų
Heavy Atom Count35
Formal Charge0
Complexity864
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T6993-01Tauroursodeoxycholate sodium
B3275-250Sodium tauroursodeoxycholate
HY-19696A-01Tauroursodeoxycholate (sodium)
A15909-25Sodium Tauroursodeoxycholate 25mg
HY-19696ASTauroursodeoxycholate-d4 (sodium)
A15909-500Sodium Tauroursodeoxycholate 500mg
A15909-50Sodium Tauroursodeoxycholate 50mg
C13034Sodium Tauroursodeoxycholate (TUDC)
A15909-200Sodium Tauroursodeoxycholate 200mg
HY-19696AR-01Tauroursodeoxycholate (sodium) (Standard)

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