Deoxycholic-2,2,4,4-d4 Acid

About Deoxycholic-2,2,4,4-d4 Acid

Deoxycholic-2,2,4,4-d4 Acid is a stable isotope labelled analogue related to Deoxycholic Acid carrying the CAS registry number 112076-61-6. Its molecular formula is C24H40O4 and its molecular weight is 396.6 g/mol. It is also known as Deoxycholic Acid-d4 or Deoxycholic acid-2,2,4,4-d4.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Warning” with 4 hazard statements. Review the Safety Data Sheet before use.

This isotope-labelled compound is used as an internal standard for LC-MS and LC-MS/MS quantitation of Deoxycholic Acid and related analytes in bioanalytical, pharmacokinetic and impurity studies. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Deoxycholic-2,2,4,4-d4 Acid is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Deoxycholic Acid

View every impurity, metabolite and intermediate we list for Deoxycholic Acid.

Deoxycholic Acid impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Deoxycholic-2,2,4,4-d4 Acid
Catalogue No.	VQ-036614
CAS Number	112076-61-6
IUPAC name	(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular formula	C₂₄H₄₀O₄
Molecular weight	396.6 g/mol
Exact mass	396.3178
Grade	Reference Standard
HSN code	38229090
InChIKey	KXGVEGMKQFWNSR-FCSCGBJGSA-N
SMILES	[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H]
PubChem CID	71309027

Physical properties
Physical form	Solid
LogP (XLogP3)	4.9
H-bond donors / acceptors	3 / 4
TPSA	77.8 Å²
Synonyms	(3alpha,5beta,12alpha)-3,12-Dihydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid, Deoxycholic Acid-d4, Deoxycholic acid-2,2,4,4-d4, TMIH-0182, deoxycholic acid (2,2,4,4-D4), 3alpha,12alpha-Dihydroxy(2,2,4,4-~2~H_4_)-5beta-cholan-24-oic acid

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Deoxycholic-2,2,4,4-d4 Acid?

The CAS Registry Number of Deoxycholic-2,2,4,4-d4 Acid is 112076-61-6. It is also known as (3alpha,5beta,12alpha)-3,12-Dihydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid, Deoxycholic Acid-d4, Deoxycholic acid-2,2,4,4-d4.

What is the molecular formula and molecular weight of Deoxycholic-2,2,4,4-d4 Acid?

Deoxycholic-2,2,4,4-d4 Acid has the molecular formula C24H40O4 and a molecular weight of 396.6 g/mol.

What is Deoxycholic-2,2,4,4-d4 Acid used for?

Deoxycholic-2,2,4,4-d4 Acid is supplied as a characterised reference material related to Deoxycholic Acid. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Deoxycholic-2,2,4,4-d4 Acid can I order?

We supply Deoxycholic-2,2,4,4-d4 Acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Deoxycholic-2,2,4,4-d4 Acid?

Yes. Every lot of Deoxycholic-2,2,4,4-d4 Acid is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Deoxycholic-2,2,4,4-d4 Acid be shipped internationally?

Yes. Deoxycholic-2,2,4,4-d4 Acid is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.