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Cardiovascular and metabolic drugs

Acetyldigitoxin

Also known as alpha-Acetyldigitoxin, Desglucolanatoside A, Acylanid

CAS 1111-39-3Formula C43H66O14Molar mass 806.99 g/molEC 214-178-4
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Acetyldigitoxin chemical structure, C43H66O14, CAS 1111-39-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1111-39-3
Formula
C43H66O14
Molar mass
806.99 g/mol
EC number
214-178-4
HS code
293220
Category
Cardiovascular and metabolic drugs

What is Acetyldigitoxin?

Plain description, key identifiers and synonyms

3'''-O-acetyldigitoxin is a cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end. It has a role as an enzyme inhibitor, an anti-arrhythmia drug and a cardiotonic drug. It is functionally related to a digitoxin.

Acetyldigitoxin is a pharmaceutical drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
CAS number
1111-39-3 CAS number cross-checkedOther or deprecated CAS: 25395-32-8
EC numbers
214-178-4, 246-942-8
Molecular formula
C43H66O14
UNII
0ZV4Q4L2FU
MDL number
MFCD00151402
InChIKey
HPMZBILYSWLILX-UMDUKNJSSA-N
InChI
InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
Canonical SMILES
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC(C)C1O
Isomeric SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O

Synonyms

  • alpha-Acetyldigitoxin
  • Desglucolanatoside A
  • Acylanid
  • Acetildigitoxina
  • Acetyldiginatin
  • Digitoxin 3'''-acetate
  • alpha-Monoacetyldigitoxin
  • Acetyldigitoxinum
  • Acetyl-digitoxin-alpha
  • acetyldigitoxine
  • acetildigitossina
  • alpha Acetyldigitoxin
  • Acetyldigitoxins alpha-
  • Acylanide
  • 3'''-O-acetyldigitoxin
  • alpha-Acetylgitaloxin
  • Acetyldigitoxin (INN)
  • Acetyldigitoxins alpha-form
  • Acedigal
  • Adicin
  • Digitoxin, 3'''-acetate
  • Acylanid (TN)
  • alpha-Acetyldigitoxins
  • Digitoxin, alpha-acetyl-
  • Acetyldigitoxins
Show all 27 synonyms
  • alpha/beta-acetyldigitoxin
  • Digitoxin, acetate, alpha-

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
806.99 g/molcalc.
Exact mass
806.4453 Dacalc.
LogP (octanol/water)
3.82calc.
Topological polar surface area
188.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
57calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
20calc.
Lipinski rule of five
Fails (2 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, O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CC4CCC23)CO1

8 rings, 44 atoms.

55 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.

Acetyldigitoxin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

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

2 suppliers in 1 country

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Acetyldigitoxin 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

  • anti-arrhythmia drug
  • cardiotonic drug
  • cardiovascular drug
  • enzyme inhibitor
  • pharmaceutical

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 Acetyldigitoxin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Acetyldigitoxin?

3'''-O-acetyldigitoxin is a cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end. It has a role as an enzyme inhibitor, an anti-arrhythmia drug and a cardiotonic drug. It is functionally related to a digitoxin.

What is the CAS number of Acetyldigitoxin?

The CAS registry number of Acetyldigitoxin is 1111-39-3. Other or deprecated CAS numbers: 25395-32-8.

What is the molecular formula and weight of Acetyldigitoxin?

The molecular formula of Acetyldigitoxin is C43H66O14 and its molar mass is 806.99 g/mol.

What is Acetyldigitoxin used for?

Known uses and roles of Acetyldigitoxin include cardiovascular drugs in pharmaceuticals, anti-arrhythmia drug, cardiotonic drug, cardiovascular drug, enzyme inhibitor and 1 more.

Is Acetyldigitoxin hazardous?

No GHS hazard classification for Acetyldigitoxin 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 Acetyldigitoxin?

Acetyldigitoxin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acetyldigitoxin?

CompoundList lists 2 suppliers of Acetyldigitoxin in Netherlands. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Acetyldigitoxin?

Suppliers quote Acetyldigitoxin 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 Acetyldigitoxin

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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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