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Steroids and sterols

Taurochenodeoxycholate-7-sulfate

Also known as Tcdc-7-S, Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)amino)-, disodium salt

CAS 66874-12-2Formula C26H43NNa2O9S2Molar mass 623.74 g/mol
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Taurochenodeoxycholate-7-sulfate chemical structure, C26H43NNa2O9S2, CAS 66874-12-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66874-12-2
Formula
C26H43NNa2O9S2
Molar mass
623.74 g/mol
HS code
292429
Category
Steroids and sterols

What is Taurochenodeoxycholate-7-sulfate?

Plain description, key identifiers and synonyms

Taurochenodeoxycholate-7-sulfate is a bile acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, 2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-7-sulfonatooxy-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
66874-12-2 CAS number cross-checked
Molecular formula
C26H43NNa2O9S2
InChIKey
DFQIEFSTRRYQEB-ZRVCAELKSA-L
InChI
InChI=1S/C26H45NO9S2.2Na/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)36-38(33,34)35;;/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t16-,17+,18-,19-,20?,21?,22-,24?,25+,26-;;/m1../s1
Canonical SMILES
CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C3C(OS(=O)(=O)[O-])CC4CC(O)CCC4(C)C3CCC12C.[Na+].[Na+]
Isomeric SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]

Synonyms

  • Tcdc-7-S
  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)amino)-, disodium 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
623.74 g/molcalc.
Exact mass
623.2175 Dacalc.
LogP (octanol/water)
-3.45calc.
Topological polar surface area
173 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
40calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
3calc.
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.

Taurochenodeoxycholate-7-sulfate suppliers

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Taurochenodeoxycholate-7-sulfate 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 Taurochenodeoxycholate-7-sulfate 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 Taurochenodeoxycholate-7-sulfate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Taurochenodeoxycholate-7-sulfate, based on the data on this page

What is Taurochenodeoxycholate-7-sulfate?

Taurochenodeoxycholate-7-sulfate is a bile acid.

What is the CAS number of Taurochenodeoxycholate-7-sulfate?

The CAS registry number of Taurochenodeoxycholate-7-sulfate is 66874-12-2.

What is the molecular formula and weight of Taurochenodeoxycholate-7-sulfate?

The molecular formula of Taurochenodeoxycholate-7-sulfate is C26H43NNa2O9S2 and its molar mass is 623.74 g/mol.

Is Taurochenodeoxycholate-7-sulfate hazardous?

No GHS hazard classification for Taurochenodeoxycholate-7-sulfate 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 Taurochenodeoxycholate-7-sulfate?

Taurochenodeoxycholate-7-sulfate 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 Taurochenodeoxycholate-7-sulfate?

Post a free request on CompoundList and suppliers of Taurochenodeoxycholate-7-sulfate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Taurochenodeoxycholate-7-sulfate?

Suppliers quote Taurochenodeoxycholate-7-sulfate 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 Taurochenodeoxycholate-7-sulfate

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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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