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Steroids and sterols

Sodium deoxycholate

Also known as Deoxycholic acid sodium salt, Sodium desoxycholate, Deoxycholate sodium

CAS 302-95-4Formula C24H39NaO4Molar mass 414.56 g/molEC 206-132-7
GHS signal word: Warning. Pictograms: Harmful or irritant 64 suppliers listed
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Sodium deoxycholate chemical structure, C24H39NaO4, CAS 302-95-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
302-95-4
Formula
C24H39NaO4
Molar mass
414.56 g/mol
EC number
206-132-7
HS code
291819
Category
Steroids and sterols

What is Sodium deoxycholate?

Plain description, key identifiers and synonyms

Sodium deoxycholate is a bile acid salt. It contains a deoxycholate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
sodium (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]pentanoate
CAS number
302-95-4 CAS number cross-checked
EC number
206-132-7
Molecular formula
C24H39NaO4
UNII
436LS6U35Y
MDL number
MFCD00064139
INCI name
SODIUM DEOXYCHOLATE
InChIKey
FHHPUSMSKHSNKW-SMOYURAASA-M
InChI
InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
Canonical SMILES
CC(CCC(=O)[O-])C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.[Na+]
Isomeric SMILES
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.[Na+]

Synonyms

  • Deoxycholic acid sodium salt
  • Sodium desoxycholate
  • Deoxycholate sodium
  • Desoxycholate sodium
  • Sodium 7-deoxycholate
  • Na-Desoxycholat
  • Dihydroxy 3-12 cholanate de Na
  • ATX 101
  • Natrium-3-alpha,12-alpha-dihydroxycholanat
  • sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
  • 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt
  • 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)-
  • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)-
  • Sodium desoxycholate (II)
  • NaDesoxycholat
  • Sodium 7deoxycholate
  • Dihydroxy 312 cholanate de Na
  • Natrium3alpha,12alphadihydroxycholanat
  • Sodium 3alpha,12alphadihydroxy5betacholan24oate
  • 3alpha,12alphaDihydroxy5betacholan24oic acid sodium salt
  • 5betaCholan24oic acid, 3alpha,12alphadihydroxy, sodium salt
  • 3,12Dihydroxycholan24oic acid monosodium salt, (3alpha,5beta,12alpha)
  • Cholan24oic acid, 3,12dihydroxy, monosodium salt, (3alpha,5beta,12alpha)
  • 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)-(9CI)
  • 3,12Dihydroxycholan24oic acid monosodium salt, (3alpha,5beta,12alpha) (9CI)
Show all 33 synonyms
  • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)-(9CI)
  • Cholan24oic acid, 3,12dihydroxy, monosodium salt, (3alpha,5beta,12alpha) (9CI)
  • Cholan24oic acid, 3,12dihydroxy, sodium salt (1:1), (3alpha,5beta,12alpha)
  • Sodium deoxycholic acid
  • Deoxycholic acid, sodium salt
  • Kybella
  • 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI)
  • 7-Deoxycholic acid sodium salt

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
414.56 g/molcalc.
Exact mass
414.2746 Dacalc.
LogP (octanol/water)
0.15calc.
Topological polar surface area
80.59 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
2calc.
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

Hazard statements

  • H302Harmful if swallowed.
  • H335May cause respiratory irritation.
Precautionary statements (11)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P319Get medical help if you feel unwell.
  • P330Rinse mouth.
  • 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

Sodium deoxycholate suppliers

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Where suppliers are based

64 suppliers in 11 countries

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Sodium deoxycholate 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

Cosmetic ingredient, INCI name SODIUM DEOXYCHOLATE(skin conditioning)

Functional uses

  • Softener and conditioner

Cosmetic functions

  • Skin conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Sodium deoxycholate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

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 Sodium deoxycholate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sodium deoxycholate, based on the data on this page

What is Sodium deoxycholate?

Sodium deoxycholate is a bile acid salt. It contains a deoxycholate.

What is the CAS number of Sodium deoxycholate?

The CAS registry number of Sodium deoxycholate is 302-95-4.

What is the molecular formula and weight of Sodium deoxycholate?

The molecular formula of Sodium deoxycholate is C24H39NaO4 and its molar mass is 414.56 g/mol.

What is Sodium deoxycholate used for?

Known uses and roles of Sodium deoxycholate include skin conditioning agents in cosmetics and personal care, skin conditioning and softener and conditioner.

Is Sodium deoxycholate hazardous?

Sodium deoxycholate carries the GHS signal word "Warning". Main hazards: harmful if swallowed, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Sodium deoxycholate?

Sodium deoxycholate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sodium deoxycholate?

CompoundList lists 64 suppliers of Sodium deoxycholate in China, United States, Germany, United Kingdom and 7 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Sodium deoxycholate in India?

1 supplier in India list Sodium deoxycholate on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Sodium deoxycholate?

Suppliers quote Sodium deoxycholate 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 Sodium deoxycholate

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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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