Lithocholic acid-2,2,4,4-d4

Base Information

Chemical Name:Lithocholic acid-2,2,4,4-d4
CAS No.:83701-16-0
Molecular Formula:C₂₄H₄₀O₃
Molecular Weight:380.548
Hs Code.:
DSSTox Substance ID:DTXSID60584371
Wikidata:Q82476025
Mol file:83701-16-0.mol

Synonyms:Lithocholic acid-2,2,4,4-d4;83701-16-0;Lithocholic Acid-d4;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;HY-B0172S;DTXSID60584371;CHEBI:192785;AKOS030242863;CS-0201332;D99087;Lithocholic acid-2,2,4,4-d4, 98 atom % D;(3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid;(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-H)-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid

Suppliers and Price of Lithocholic acid-2,2,4,4-d4

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Lithocholic Acid-d4
1mg
$ 418.00

TRC
LithocholicAcid-d4
2.5mg
$ 185.00

Medical Isotopes, Inc.
Lithocholic-2,2,4,4-d4Acid
5 mg
$ 390.00

IsoSciences
LithocholicAcid-[d4](Solution) ≥98%
100ug/mL
$ 163.00

Cayman Chemical
Lithocholic Acid-d4 ≥99% deuterated forms (d1-d4)
1mg
$ 99.00

Cayman Chemical
Lithocholic Acid-d4 ≥99% deuterated forms (d1-d4)
500μg
$ 55.00

Cayman Chemical
Lithocholic Acid-d4 ≥99% deuterated forms (d1-d4)
5mg
$ 358.00

Cayman Chemical
Lithocholic Acid-d4 ≥99% deuterated forms (d1-d4)
10mg
$ 605.00

American Custom Chemicals Corporation
LITHOCHOLIC ACID-2,2,4,4-D4 95.00%
2.5MG
$ 715.00

American Custom Chemicals Corporation
LITHOCHOLIC ACID-2,2,4,4-D4 95.00%
25MG
$ 1963.50

Total 15 raw suppliers

Chemical Property of Lithocholic acid-2,2,4,4-d4

Chemical Property:

Melting Point:184-186 °C(lit.)
Boiling Point:510.992 °C at 760 mmHg
Flash Point:276.926 °C
PSA：57.53000
Density:1.085 g/cm³
LogP:5.50710
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly, Heated, Sonicated), Ethanol (Slightly), Methanol (Slightly
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:380.32285212
Heavy Atom Count:27
Complexity:574

Purity/Quality:

99%, ^*data from raw suppliers

Lithocholic Acid-d4 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Isomeric SMILES:[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H]
Uses A labelled cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.

Technology Process of Lithocholic acid-2,2,4,4-d4

There total 1 articles about Lithocholic acid-2,2,4,4-d4 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: