Isodeoxycholic acid (7α,12α-Dihydroxycholanoic acid) is the 3β-epimer of ursodeoxycholic acid. Isodeoxycholic acid has choleretic and hepatic biochemical effects.

Physicochemical Properties

Molecular Formula	C24H40O4
Molecular Weight	392.57
Exact Mass	392.293
CAS #	566-17-6
PubChem CID	164672
Appearance	White to off-white solid powder
Density	1.128 g/cm3
Boiling Point	547.1ºC at 760 mmHg
Melting Point	210°C (lit.)
Flash Point	298.8ºC
Index of Refraction	1.543
LogP	4.477
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	28
Complexity	605
Defined Atom Stereocenter Count	10
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C
InChi Key	ZHCAAZIHTDCFJX-QLEQUTGBSA-N
InChi Code	InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
Chemical Name	(4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-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]pentanoic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. Isoursodeoxycholic acid: metabolism and therapeutic effects in primary biliary cirrhosis. J Lipid Res. 2001 May;42(5):735-42.
Additional Infomation	Isodeoxycholic acid is a cholanoid.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (254.73 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.37 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5473 mL	12.7366 mL	25.4732 mL
	5 mM	0.5095 mL	2.5473 mL	5.0946 mL
	10 mM	0.2547 mL	1.2737 mL	2.5473 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.