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Home/Compounds/CAS 83-44-3
Formula C24H40O4MW 392.6Research-use catalog entryCOA/SDS by request

Deoxycholic Acid

CAS Number: 83-44-3

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Loading RDKit molecule structure...
InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-NC24H40O4 | MW 392.6

Chemical Absolute Identifiers

CAS Number

83-44-3

PubChem CID

222528

Molecular Formula

C24H40O4

Molecular Weight

392.6 g/mol

Exact Mass

392.29266

InChIKey

KXGVEGMKQFWNSR-LLQZFEROSA-N

IUPAC Name

(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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

SMILES String

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Physical Properties

Melting Point

177.0 °C

pKa

6.58

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Deoxycholic Acid (CAS 83-44-3) is listed in the Advanced Chemicals portfolio, with molecular formula C24H40O4 and molecular weight 392. 60 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Natural Product ResearchSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: G-protein coupled bile acid receptor 1 (Homo sapiens) — 4 assays; Steroid Delta-isomerase (Pseudomonas putida) — 2 assays; Thromboxane A2 receptor (Homo sapiens) — 2 assays; Bile acid receptor (Homo sapiens) — 3 assays; D(1A) dopamine receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

G-protein coupled bile acid receptor 1

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 3 documents · best pChEMBL 6

Experimental evidence source: ChEMBL

Steroid Delta-isomerase

Pseudomonas putida · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.8

Experimental evidence source: ChEMBL

Thromboxane A2 receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.61

Experimental evidence source: ChEMBL

Bile acid receptor

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 4.35

Experimental evidence source: ChEMBL

D(1A) dopamine receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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First Aid

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Fire Fighting

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Accidental Release

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Deoxycholic Acid

Names & Synonyms

CholerebicCholeic acidCholorebicDegalolDroxolan
Show all synonyms
Deoxycholatic acidPyrocholSeptocholDesoxycholsaeure3alpha,12alpha-Dihydroxy-5beta-cholanic acid7-Deoxycholic acid7alpha-Deoxycholic acidCholic acid, deoxy-3,12-Dihydroxycholanic acidDihydroxycholanoic acidDeoxy cholic acid3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acidacido desoxicolicoacide desoxycholique
External Identifiers
EC NUMBER: 201-478-5DSSTOX SUBSTANCE ID: DTXSID0042662CHEMBL ID: CHEMBL406393CHEMBL ID: CHEMBL453873CHEBI ID: CHEBI:28834UNII: 005990WHZZDRUGBANK ID: DB03619DRUGBANK ID: DB05780HMDB ID: HMDB0000626KEGG ID: C04483KEGG ID: D10781METABOLOMICS WORKBENCH ID: 36282NCI THESAURUS CODE: C81042RXCUI: 3194WIKIDATA ID: Q425680
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR SpectraFTIR Spectra — Forensic Spectral ResearchRaman SpectraUV Spectra
Literature & Patent References
DOI 10.1016/j.ejmech.2024.116462Update on the development of TGR5 agonists for human diseases.DOI 10.1039/d4md00007b"Seasoning" antimalarial drugs' action: chloroquine bile salts as novel triple-stage antiplasmodial hits.DOI 10.1039/d4md00473fRecent advancements in the structural exploration of TGR5 agonists for diabetes treatment.PMID 38691888Update on the development of TGR5 agonists for human diseases.PMID 39149112"Seasoning" antimalarial drugs' action: chloroquine bile salts as novel triple-stage antiplasmodial hits.PMID 39309359Recent advancements in the structural exploration of TGR5 agonists for diabetes treatment.DOI 10.1021/acs.jmedchem.3c01013Discovery of Potent Agonists for the Predominant Variant of the Orphan MAS-Related G Protein-Coupled Receptor X4 (MRGPRX4).DOI 10.1021/acs.jmedchem.3c02026Beware the Receptor Variants.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

Ursodeoxycholic AcidCAS 128-13-2
PeimineCAS 23496-41-5
Estradiol CypionateCAS 313-06-4
TomatineCAS 17406-45-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 128-13-2Ursodeoxycholic AcidCAS 459789-99-2Obeticholic AcidCAS 21829-25-4NifedipineCAS 366789-02-8RivaroxabanCAS 23593-75-1ClotrimazoleCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 83-44-3

What are the key identifiers for Deoxycholic Acid (CAS 83-44-3)?

Deoxycholic Acid is identified by CAS 83-44-3, with molecular formula C24H40O4, molecular weight 392.6, InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-N.

Does CAS 83-44-3 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with G-protein coupled bile acid receptor 1, Steroid Delta-isomerase, Thromboxane A2 receptor, Bile acid receptor, D(1A) dopamine receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 83-44-3?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Deoxycholic Acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 83-44-3 available for quotation?

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