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Chenodeoxycholic acid chemical structure, C24H40O4, CAS 474-25-9
2D chemical structure

Key facts

What buyers check first

CAS number
474-25-9
Formula
C24H40O4
Molar mass
392.58 g/mol
EC number
207-481-8
HS code
291819
Category
Respiratory, allergy and digestive drugs

What is Chenodeoxycholic acid?

Plain description, key identifiers and synonyms

Chenodeoxycholic acid is a dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. It has a role as a mouse metabolite and a human metabolite. It is a C24-steroid, a dihydroxy-5beta-cholanic acid and a bile acid. It is a conjugate acid of a chenodeoxycholate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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
CAS number
474-25-9 CAS number cross-checkedOther or deprecated CAS: 24404-86-2
EC number
207-481-8
Molecular formula
C24H40O4
UNII
0GEI24LG0J
MDL number
MFCD00064142
InChIKey
RUDATBOHQWOJDD-BSWAIDMHSA-N
InChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
Canonical SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Synonyms

  • Chenodiol
  • Chenix
  • Cdca
  • Chenic acid
  • Chendol
  • Chenodesoxycholic acid
  • Gallodesoxycholic acid
  • Anthropodeoxycholic acid
  • Anthropodesoxycholic acid
  • Anthropododesoxycholic acid
  • Fluibil
  • Chenocol
  • Chenossil
  • Cholanorm
  • Xenbilox
  • 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid
  • Henohol
  • 3alpha,7alpha-Dihydroxy-5beta-cholanic acid
  • Chenique Acid
  • Acidum chenodeoxycholicum
  • Ctexli
  • 7alpha-hydroxylithocholic acid
  • Chenocedon
  • acido quenodeoxicolico
  • acide chenodesoxycholique
Show all 38 synonyms
  • Acid, Chenic
  • Chenodal
  • Chenophalk
  • Combidol
  • Lithofalk
  • Acid, Chenique
  • Chendol 125
  • Chendol 250
  • Acid, Chenodeoxycholic
  • acido chenodesossicolico
  • Acid, Gallodesoxycholic
  • Chenodeoxycholate, Sodium
  • chAnodAsoxycholique (acide)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
392.58 g/molcalc.
Exact mass
392.2927 Dacalc.
LogP (octanol/water)
4.48calc.
Topological polar surface area
77.76 ร…ยฒcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (22)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Chenodeoxycholic acid suppliers

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Chenodeoxycholic acid price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Cathartics
  • Gastrointestinal Agents

Roles

  • animal metabolite
  • antispasmodic drug
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • mouse metabolite
  • muscle relaxant
  • neuromuscular agent
  • pharmaceutical

Pharmacology

Chenodiol is a Bile Acid.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Chenodeoxycholic acid is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, theirโ€ฆ

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Chenodeoxycholic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Chenodeoxycholic acid, based on the data on this page

What is Chenodeoxycholic acid?

Chenodeoxycholic acid is a dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. It has a role as a mouse metabolite and a human metabolite. It is a C24-steroid, a dihydroxy-5beta-cholanic acid and a bile acid.

What is the CAS number of Chenodeoxycholic acid?

The CAS registry number of Chenodeoxycholic acid is 474-25-9. Other or deprecated CAS numbers: 24404-86-2.

What is the molecular formula and weight of Chenodeoxycholic acid?

The molecular formula of Chenodeoxycholic acid is C24H40O4 and its molar mass is 392.58 g/mol.

What is Chenodeoxycholic acid used for?

Known uses and roles of Chenodeoxycholic acid include animal metabolite, antispasmodic drug, eukaryotic metabolite, human metabolite, mammalian metabolite and 7 more.

Is Chenodeoxycholic acid hazardous?

Chenodeoxycholic acid carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Chenodeoxycholic acid?

Chenodeoxycholic acid is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, theirโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chenodeoxycholic acid?

CompoundList lists 105 suppliers of Chenodeoxycholic acid in China, United States, Germany, United Kingdom and 13 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Chenodeoxycholic acid in India?

5 suppliers in India list Chenodeoxycholic acid on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Chenodeoxycholic acid?

Suppliers quote Chenodeoxycholic acid on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Chenodeoxycholic acid

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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