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Steroids and sterols

Tauroursodeoxycholate

Also known as N-ursodeoxycholoyltaurine(1-), N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine(1-), 2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate

CAS 632-26-8Formula C26H44NO6S-Molar mass 498.71 g/mol
1 supplier listed
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Tauroursodeoxycholate chemical structure, C26H44NO6S-, CAS 632-26-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
632-26-8
Formula
C26H44NO6S-
Molar mass
498.71 g/mol
HS code
292429
Category
Steroids and sterols

What is Tauroursodeoxycholate?

Plain description, key identifiers and synonyms

Tauroursodeoxycholate is an organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group, major species at pH 7.3. It is a cholanic acid conjugate anion and an organosulfonate oxoanion. It is a conjugate base of a tauroursodeoxycholic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[(4R)-4-[(3R,5S,7S,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]pentanoyl]amino]ethanesulfonate
CAS number
632-26-8
Molecular formula
C26H44NO6S-
InChIKey
BHTRKEVKTKCXOH-LBSADWJPSA-M
InChI
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
Canonical SMILES
CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](CCC(=O)NCCS(=O)(=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

  • N-ursodeoxycholoyltaurine(1-)
  • N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine(1-)
  • 2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
  • 2-[(3alpha,7beta-Dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethane-1-sulfonate
  • 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonate
  • Ethanesulfonic acid, 2-[[(3I+/-,5I(2),7I(2))-3,7-dihydroxy-23-oxo-24-norcholan-23-yl]amino]-, ion(1-)

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
498.71 g/molcalc.
Exact mass
498.2895 Dacalc.
LogP (octanol/water)
3.05calc.
Topological polar surface area
126.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
-1calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Tauroursodeoxycholate suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Tauroursodeoxycholate price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • anti-inflammatory agent
  • apoptosis inhibitor
  • bone density conservation agent
  • cardioprotective agent
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • neuroprotective agent
  • pharmaceutical
  • protective agent

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 Tauroursodeoxycholate is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Tauroursodeoxycholate, based on the data on this page

What is Tauroursodeoxycholate?

Tauroursodeoxycholate is an organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group, major species at pH 7.3. It is a cholanic acid conjugate anion and an organosulfonate oxoanion. It is a conjugate base of a tauroursodeoxycholic acid.

What is the CAS number of Tauroursodeoxycholate?

The CAS registry number of Tauroursodeoxycholate is 632-26-8.

What is the molecular formula and weight of Tauroursodeoxycholate?

The molecular formula of Tauroursodeoxycholate is C26H44NO6S- and its molar mass is 498.71 g/mol.

What is Tauroursodeoxycholate used for?

Known uses and roles of Tauroursodeoxycholate include animal metabolite, anti-inflammatory agent, apoptosis inhibitor, bone density conservation agent, cardioprotective agent and 7 more.

Is Tauroursodeoxycholate hazardous?

No GHS hazard classification for Tauroursodeoxycholate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Tauroursodeoxycholate?

Tauroursodeoxycholate is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tauroursodeoxycholate?

CompoundList lists 1 supplier of Tauroursodeoxycholate in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tauroursodeoxycholate?

Suppliers quote Tauroursodeoxycholate 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

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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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