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Steroids and sterols

Sodium cholate hydrate

Also known as Cholalic acid sodium salt xhydrate, Cholic acid sodium hydrate, Sodium cholate hydrate(1:1:1)

CAS 206986-87-0Formula C24H41NaO6Molar mass 448.58 g/molEC 979-895-3
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Sodium cholate hydrate chemical structure, C24H41NaO6, CAS 206986-87-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
206986-87-0
Formula
C24H41NaO6
Molar mass
448.58 g/mol
EC number
979-895-3
HS code
291819
Category
Steroids and sterols

What is Sodium cholate hydrate?

Plain description, key identifiers and synonyms

Sodium cholate hydrate is a chemical substance with the molecular formula C24H41NaO6 and a molar mass of 448.58 g/mol. Its CAS registry number is 206986-87-0. The IUPAC name is sodium, (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
sodium, (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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, hydrate
CAS number
206986-87-0 CAS number cross-checked
EC number
979-895-3
Molecular formula
C24H41NaO6
MDL number
MFCD00150749
InChIKey
MUVVIYFKOVLQHL-RCVKHMDESA-M
InChI
InChI=1S/C24H40O5.Na.H2O/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);;1H2/q;+1;/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m1../s1
Canonical SMILES
CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.O.[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]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+]

Synonyms

  • Cholalic acid sodium salt xhydrate
  • Cholic acid sodium hydrate
  • Sodium cholate hydrate(1:1:1)
  • Cholalicacidsodiumsaltxhydrate
  • Cholic acid, sodium salt hydrate
  • Sodium cholate hydrate, BioXtra, >=99%
  • Sodium cholate hydrate, >=97.0% (dried material, NT)
  • 3a,7a,12a-Trihydroxy-5ss-cholan-24-oic acid sodium salt
  • Sodium cholate hydrate, from ox and/or sheep bile, >=99%
  • Sodium cholate hydrate, suitable for cell culture, BioReagent
  • Sodium 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate--water (1/1/1)
  • sodium (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate hydrate

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
448.58 g/molcalc.
Exact mass
448.2801 Dacalc.
LogP (octanol/water)
-1.71calc.
Topological polar surface area
132.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
11calc.
Components
3calc.
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 classification
Hazard pictograms

Hazard statements

  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (2)
  • P273Avoid release to the environment.
  • 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 cholate hydrate suppliers

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Sodium cholate hydrate 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Sodium cholate hydrate 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 cholate hydrate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sodium cholate hydrate, based on the data on this page

What is Sodium cholate hydrate?

Sodium cholate hydrate is a chemical substance with the molecular formula C24H41NaO6 and a molar mass of 448.58 g/mol. Its CAS registry number is 206986-87-0.

What is the CAS number of Sodium cholate hydrate?

The CAS registry number of Sodium cholate hydrate is 206986-87-0.

What is the molecular formula and weight of Sodium cholate hydrate?

The molecular formula of Sodium cholate hydrate is C24H41NaO6 and its molar mass is 448.58 g/mol.

Is Sodium cholate hydrate hazardous?

Sodium cholate hydrate has a GHS hazard classification. Main hazards: harmful to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Sodium cholate hydrate?

Sodium cholate hydrate 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 cholate hydrate?

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What is the price of Sodium cholate hydrate?

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Guides for buyers

Practical guides that help when you source, ship or handle Sodium cholate hydrate

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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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