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Chenodeoxycholic acid

CAT: 0013-GTR19177535-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177535-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Chenodeoxycholic acid
CAS Number
474-25-9
Product Name Alternative
PotassiumChannel, Potassium Channel, Inhibitor, Endogenous Metabolite, EndogenousMetabolite, FXR, inhibit, NR1H4, CDCA, Chenodeoxycholic acid, Chenodiol, Bile acid receptor, Autophagy
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery
Purity
99.70% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:40 mg/mL (101.89 mM) ; Ethanol:79 mg/mL (201.24 mM)
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) [C@] (C[C@H]3O) (C[C@H] (O) CC4) [H]) (CC1) [H]) [H]) (CC[C@@]2 ([C@@H] (CCC (O) =O) C) [H]) [H]
Molecular Formula
C24H40O4
Molecular Weight
392.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chenodeoxycholic Acid

Chenodiol can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number474-25-9
PubChem CID10133
IUPAC Name(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]pentanoic acid
Molecular FormulaC24H40O4
Molecular Weight392.6
XLogP4.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity605
SMILES
C[C@H](CCC(=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
InChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey
RUDATBOHQWOJDD-BSWAIDMHSA-N
Chemical Structure
2D Structure
2D structure of Chenodeoxycholic Acid
CAS: 474-25-9
CID: 10133
Formula: C24H40O4
MW: 392.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.6
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass392.29265975
Monoisotopic Mass392.29265975
Topological Polar Surface Area77.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
2831-1GChenodeoxycholic acid

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