Taurochenodeoxycholic acid sodium

CAT: 0931-TN2215-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2215-01Size:100 mg

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CAS Number

6009-98-9

Target

Apoptosis, Endogenous Metabolite

Related Pathways

Metabolism, Apoptosis

Purity

0.9956

Bioactivity

Taurochenodeoxycholic acid sodium (Sodium taurochenodeoxycholate) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid sodium induces apoptosis and shows obvious anti-inflammatory and immune regulation properties. It can increase glucose-induced insulin secretion and stimulate the electrical activity of α2-cells and enhance cytosolic Ca (2+) concentration ([Ca (2+) ] (c) ) .

Smiles

[Na+].C[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Formula

C26H44NNaO6S

Molecular Weight

521.68

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Chenyl taurine sodium

Sodium taurochenodeoxycholate is a cholanoid.

CAS Number	6009-98-9
PubChem CID	23664008
IUPAC Name	sodium 2-[[(4R)-4-[(3R,5S,7R,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 Formula	C26H44NNaO6S
Molecular Weight	521.7
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	864

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-HLEJRKHJSA-M

Chemical Structure

2D Structure

CAS: 6009-98-9

CID: 23664008

Formula: C26H44NNaO6S

MW: 521.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	521.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	521.27870358
Monoisotopic Mass	521.27870358
Topological Polar Surface Area	135 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	864
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
FT147865-01	Taurochenodeoxycholic acid sodium
HY-N1429-01	Taurochenodeoxycholic acid (sodium)
AR-C02380-01	Taurochenodeoxycholic Acid Sodium Salt
ESS0536-01	Taurochenodeoxycholic Acid-D4 Sodium
sc-281162	Taurochenodeoxycholic Acid, Sodium Salt
HY-N1429R-01	Taurochenodeoxycholic acid (sodium) (Standard)
HY-N1429S1	Taurochenodeoxycholic acid-d5 (sodium)
HY-N2027S	Taurochenodeoxycholic acid-d4 (sodium)
HY-N1429S	Taurochenodeoxycholic acid-d9 (sodium)
466844	Taurochenodeoxycholic Acid-d5 Sodium Salt

Taurochenodeoxycholic acid sodium

Chemical Information

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