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Steroids and sterols

Choline dehydrocholate

Also known as (2-Hydroxyethyl)trimethylammonium (5beta)-3,7,12-trioxocholan-24-oate, Biscolan, Choline, salt with 3,7,12-trioxo-5beta-cholan-24-oic acid (1:1)

CAS 4201-78-9Formula C29H47NO6Molar mass 505.70 g/molEC 224-106-3
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Choline dehydrocholate chemical structure, C29H47NO6, CAS 4201-78-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4201-78-9
Formula
C29H47NO6
Molar mass
505.70 g/mol
EC number
224-106-3
HS code
291830
Category
Steroids and sterols

What is Choline dehydrocholate?

Plain description, key identifiers and synonyms

Choline dehydrocholate is a chemical substance with the molecular formula C29H47NO6 and a molar mass of 505.70 g/mol. Its CAS registry number is 4201-78-9. The IUPAC name is (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate, 2-hydroxyethyl(trimethyl)azanium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate, 2-hydroxyethyl(trimethyl)azanium
CAS number
4201-78-9
EC number
224-106-3
Molecular formula
C29H47NO6
UNII
2Z092M53MS
InChIKey
GJENXZXAFXDOTP-CAOXKPNISA-M
InChI
InChI=1S/C24H34O5.C5H14NO/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;1-6(2,3)4-5-7/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);7H,4-5H2,1-3H3/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1
Canonical SMILES
CC(CCC(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.C[N+](C)(C)CCO
Isomeric SMILES
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.C[N+](C)(C)CCO

Synonyms

  • (2-Hydroxyethyl)trimethylammonium (5beta)-3,7,12-trioxocholan-24-oate
  • Biscolan
  • Choline, salt with 3,7,12-trioxo-5beta-cholan-24-oic acid (1:1)

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
505.70 g/molcalc.
Exact mass
505.3403 Dacalc.
LogP (octanol/water)
2.42calc.
Topological polar surface area
111.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
8calc.
Components
2calc.
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, O=C1CCC2C(C1)CC(=O)C1C3CCCC3C(=O)CC21

O=C1CCC2C(C1)CC(=O)C1C3CCCC3C(=O)CC21

4 rings, 20 atoms.

19 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.

Choline dehydrocholate suppliers

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Choline dehydrocholate 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 Choline dehydrocholate is traded under.

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Choline dehydrocholate, based on the data on this page

What is Choline dehydrocholate?

Choline dehydrocholate is a chemical substance with the molecular formula C29H47NO6 and a molar mass of 505.70 g/mol. Its CAS registry number is 4201-78-9.

What is the CAS number of Choline dehydrocholate?

The CAS registry number of Choline dehydrocholate is 4201-78-9.

What is the molecular formula and weight of Choline dehydrocholate?

The molecular formula of Choline dehydrocholate is C29H47NO6 and its molar mass is 505.70 g/mol.

Is Choline dehydrocholate hazardous?

No GHS hazard classification for Choline dehydrocholate 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 Choline dehydrocholate?

Choline dehydrocholate is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Choline dehydrocholate?

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

What is the price of Choline dehydrocholate?

Suppliers quote Choline dehydrocholate 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 Choline dehydrocholate

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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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