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Impurities and reference standards

Neodigoxin

Also known as Digoxin impurity G, neo-Digoxin, Digoxin impurity g (ep impurity)

CAS 55576-67-5Formula C41H64O14Molar mass 780.95 g/molEC 259-712-7
1 supplier listed
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Neodigoxin chemical structure, C41H64O14, CAS 55576-67-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
55576-67-5
Formula
C41H64O14
Molar mass
780.95 g/mol
EC number
259-712-7
HS code
293220
Category
Impurities and reference standards

What is Neodigoxin?

Plain description, key identifiers and synonyms

Neodigoxin is a chemical substance with the molecular formula C41H64O14 and a molar mass of 780.95 g/mol. Its CAS registry number is 55576-67-5. The IUPAC name is 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS number
55576-67-5Other or deprecated CAS: 96386-77-5
EC number
259-712-7
Molecular formula
C41H64O14
UNII
LAG64AW52Y
InChIKey
LTMHDMANZUZIPE-TUIWDEEUSA-N
InChI
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
Canonical SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)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]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O

Synonyms

  • Digoxin impurity G
  • neo-Digoxin
  • Digoxin impurity g (ep impurity)
  • Digoxin EP Impurity G
  • Digoxin EP Impurity G, Neodigoxin

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
780.95 g/molcalc.
Exact mass
780.4296 Dacalc.
LogP (octanol/water)
2.22calc.
Topological polar surface area
203.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
7calc.
Heavy atoms
55calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
21calc.
Lipinski rule of five
Fails (3 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.

Neodigoxin suppliers

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Where suppliers are based

1 supplier in 1 country

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Neodigoxin price

Indicative price range per kg from live supplier offers

No published prices right now

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

Frequently asked questions

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

What is Neodigoxin?

Neodigoxin is a chemical substance with the molecular formula C41H64O14 and a molar mass of 780.95 g/mol. Its CAS registry number is 55576-67-5.

What is the CAS number of Neodigoxin?

The CAS registry number of Neodigoxin is 55576-67-5. Other or deprecated CAS numbers: 96386-77-5.

What is the molecular formula and weight of Neodigoxin?

The molecular formula of Neodigoxin is C41H64O14 and its molar mass is 780.95 g/mol.

Is Neodigoxin hazardous?

No GHS hazard classification for Neodigoxin 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 Neodigoxin?

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

Where can I buy Neodigoxin?

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

What is the price of Neodigoxin?

Suppliers quote Neodigoxin 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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