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Stable Isotope Labelled Standards (Deuterated, 13C, 15N)

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

Reference StandardAvailable on request

Buy Deoxycholic-2,2,4,4-d4 Acid (CAS 112076-61-6) from Zemixal: C24H40O4, COA and SDS with every lot, worldwide shipping.

Pack sizes
Deoxycholic-2,2,4,4-d4 Acid chemical structure
CAS number112076-61-6
FormulaC24H40O4
Molar mass396.6 g/mol
Physical formSolid
HS code38229090
InChIKeyKXGVEGMKQFWNSR-FCSCGBJGSA-N
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

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

Zemixal lists Deoxycholic-2,2,4,4-d4 Acid for laboratories that identify, quantify or control Deoxycholic Acid and its related substances. Identity at a glance (Reference Standard): CAS 112076-61-6, formula C24H40O4 and molar mass 396.6 g/mol. It is handled as a solid.

Use cases we see most often

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Storage and safety notes

It carries the GHS signal word Warning (H302, H315, H319 and H335), so wear gloves and eye protection and work with good ventilation.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and custom quantities are quoted on request. You receive a certificate of analysis with characterisation data with each order. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Deoxycholic Acid

See every impurity, metabolite and related compound we list for this API.

Deoxycholic Acid standards

Typical uses

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Grade guides

Deuterated and Stable-Isotope-Labelled Compounds

Specifications and identifiers

Specifications of Deoxycholic-2,2,4,4-d4 Acid
Product nameDeoxycholic-2,2,4,4-d4 Acid
Catalogue numberZX-033284
CAS number112076-61-6
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 formulaC24H40O4
Molar mass396.6 g/mol
Exact mass396.3178
GradeReference Standard
Physical formSolid
XLogP34.9
H-bond donors / acceptors3 / 4
Topological polar surface area77.8 Ų
HS code38229090
InChIKeyKXGVEGMKQFWNSR-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 CID71309027
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

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful

Signal word Warning

  • 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Deoxycholic-2,2,4,4-d4 Acid
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Deoxycholic-2,2,4,4-d4 Acid

Which CAS number identifies Deoxycholic-2,2,4,4-d4 Acid?
Deoxycholic-2,2,4,4-d4 Acid is registered under CAS 112076-61-6. You may also see it listed 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. Our catalogue number for this item is ZX-033284.
What are the formula and molar mass of Deoxycholic-2,2,4,4-d4 Acid?
For Deoxycholic-2,2,4,4-d4 Acid, its formula is C24H40O4 and its molar mass is 396.6 g/mol. InChIKey KXGVEGMKQFWNSR-FCSCGBJGSA-N lets you match it in any structure database.
How is Deoxycholic-2,2,4,4-d4 Acid used in pharmaceutical QC?
Deoxycholic-2,2,4,4-d4 Acid is a characterised reference material linked to Deoxycholic Acid. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for Deoxycholic-2,2,4,4-d4 Acid?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Deoxycholic-2,2,4,4-d4 Acid?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Deoxycholic-2,2,4,4-d4 Acid to my country?
Yes. Because Deoxycholic-2,2,4,4-d4 Acid is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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