Products for Research Use Only
RegisterLogin

Taurochenodeoxycholic acid sodium

CAT: 0926-FT147865-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FT147865-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
6009-98-9
Synonyms
2- ([3α,7α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino) ethanesulfonic acid sodium; Sodium taurochenodeoxycholate
MDL Number
MFCD00036745
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+]
Molecular Formula
C26H45NO6S•Na
Molecular Weight
522.7 g/mol
Controlled
No

Chemical Information

Chenyl taurine sodium

Sodium taurochenodeoxycholate is a cholanoid.

CAS Number6009-98-9
PubChem CID23664008
IUPAC Namesodium 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 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-HLEJRKHJSA-M
Chemical Structure
2D Structure
2D structure of Chenyl taurine sodium
CAS: 6009-98-9
CID: 23664008
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

Related Products

CatalogName
KWD27985-01Taurochenodeoxycholic acid-d4 sodium
FT74145-01Taurochenodeoxycholic acid
YDA78957-01Perfluorononanesulfonic acid sodium
FG70848-01Gallic acid sodium
FV28651-01Valeric acid sodium
FP27202-01Propiolic acid sodium
FP181682-01Perfluoropropanesulfonic acid sodium
FA166793-01Acetylacetic acid sodium
FF153145-01Fusidic acid sodium
FU172191-01Uric acid, sodium

Alternative Products

CatalogName
TN2215-01Taurochenodeoxycholic acid sodium
HY-N1429-01Taurochenodeoxycholic acid (sodium)
AR-C02380-01Taurochenodeoxycholic Acid Sodium Salt
ESS0536-01Taurochenodeoxycholic Acid-D4 Sodium
sc-281162Taurochenodeoxycholic Acid, Sodium Salt
HY-N1429R-01Taurochenodeoxycholic acid (sodium) (Standard)
HY-N1429S1Taurochenodeoxycholic acid-d5 (sodium)
HY-N1429STaurochenodeoxycholic acid-d9 (sodium)
HY-N2027STaurochenodeoxycholic acid-d4 (sodium)
TMIJ-0198-01Taurochenodeoxycholic Acid-d5 Sodium Salt

Popular Products