Lithocholic acid-d4

About Lithocholic acid-d4

Lithocholic acid-d4 is a stable isotope labelled analogue related to Lithocholic Acid carrying the CAS registry number 83701-16-0. Its molecular formula is C24H40O3 and its molecular weight is 380.6 g/mol. It is also known as Lithocholic acid-2,2,4,4-d4 or Lithocholic-2,2,4,4-d4 acid.

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. Good laboratory practice and suitable PPE are recommended during handling.

Its mass shift relative to the unlabelled analyte makes it a dependable internal standard for LC-MS/MS assays, improving accuracy in bioanalysis, therapeutic drug monitoring and method validation. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer Lithocholic acid-d4 in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Lithocholic Acid

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

Lithocholic Acid impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Lithocholic acid-d4
Catalogue No.	VQ-042784
CAS Number	83701-16-0
IUPAC name	(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
Molecular formula	C₂₄H₄₀O₃
Molecular weight	380.6 g/mol
Exact mass	380.3229
Grade	Reference Standard
HSN code	38229090
InChIKey	SMEROWZSTRWXGI-POXZWENPSA-N
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]
PubChem CID	16217405

Physical properties
Physical form	Solid
LogP (XLogP3)	6.3
H-bond donors / acceptors	2 / 3
TPSA	57.5 Å²
Synonyms	(3alpha,5beta)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid, Lithocholic acid-2,2,4,4-d4, Lithocholic-2,2,4,4-d4 acid, lithocholicacid-2,2,4,4-d4, TMIJ-0304, 3alpha-Hydroxy(2,2,4,4-~2~H_4_)-5beta-cholan-24-oic acid, (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid

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 Lithocholic acid-d4?

The CAS Registry Number of Lithocholic acid-d4 is 83701-16-0. It is also known as (3alpha,5beta)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid, Lithocholic acid-2,2,4,4-d4, Lithocholic-2,2,4,4-d4 acid.

What is the molecular formula and molecular weight of Lithocholic acid-d4?

Lithocholic acid-d4 has the molecular formula C24H40O3 and a molecular weight of 380.6 g/mol.

What is Lithocholic acid-d4 used for?

Lithocholic acid-d4 is supplied as a characterised reference material related to Lithocholic 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 Lithocholic acid-d4 can I order?

We supply Lithocholic acid-d4 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 Lithocholic acid-d4?

Yes. Every lot of Lithocholic acid-d4 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 Lithocholic acid-d4 be shipped internationally?

Yes. We export Lithocholic acid-d4 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.