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Isotope-labelled compounds

Tauroursodeoxycholate-d4

Also known as TMIJ-0199, Tauroursodeoxycholic Acid-D4(Tauroursodiol-D4)

CAS 2410279-94-4Formula C26H45NO6SMolar mass 503.74 g/mol
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Tauroursodeoxycholate-d4 chemical structure, C26H45NO6S, CAS 2410279-94-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2410279-94-4
Formula
C26H45NO6S
Molar mass
503.74 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Tauroursodeoxycholate-d4?

Plain description, key identifiers and synonyms

Tauroursodeoxycholate-d4 is a chemical substance with the molecular formula C26H45NO6S and a molar mass of 503.74 g/mol. Its CAS registry number is 2410279-94-4. The IUPAC name is 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic 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)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
CAS number
2410279-94-4
Molecular formula
C26H45NO6S
InChIKey
BHTRKEVKTKCXOH-RJPRAGLTSA-N
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)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1/i8D2,14D2
Canonical SMILES
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)C)[2H]

Synonyms

  • TMIJ-0199
  • Tauroursodeoxycholic Acid-D4(Tauroursodiol-D4)

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
503.74 g/molcalc.
Exact mass
503.3219 Dacalc.
LogP (octanol/water)
3.4calc.
Topological polar surface area
123.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (1 violation)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-d4 suppliers

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Tauroursodeoxycholate-d4 price

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Uses and applications

What the substance is used for, by industry and function

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-d4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Tauroursodeoxycholate-d4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tauroursodeoxycholate-d4, based on the data on this page

What is Tauroursodeoxycholate-d4?

Tauroursodeoxycholate-d4 is a chemical substance with the molecular formula C26H45NO6S and a molar mass of 503.74 g/mol. Its CAS registry number is 2410279-94-4.

What is the CAS number of Tauroursodeoxycholate-d4?

The CAS registry number of Tauroursodeoxycholate-d4 is 2410279-94-4.

What is the molecular formula and weight of Tauroursodeoxycholate-d4?

The molecular formula of Tauroursodeoxycholate-d4 is C26H45NO6S and its molar mass is 503.74 g/mol.

What is Tauroursodeoxycholate-d4 used for?

Known uses and roles of Tauroursodeoxycholate-d4 include isotope-labelled compounds in research and laboratory.

Is Tauroursodeoxycholate-d4 hazardous?

No GHS hazard classification for Tauroursodeoxycholate-d4 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-d4?

Tauroursodeoxycholate-d4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tauroursodeoxycholate-d4?

Post a free request on CompoundList and suppliers of Tauroursodeoxycholate-d4 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Tauroursodeoxycholate-d4?

Suppliers quote Tauroursodeoxycholate-d4 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 Tauroursodeoxycholate-d4

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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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