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Cardiovascular and metabolic drugs

Neriifolin

Also known as Digitoxigenin 3-(alpha-L-thevetoside), 3beta-(6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide, 17beta-Neriifolin

CAS 466-07-9Formula C30H46O8Molar mass 534.69 g/molEC 207-372-5
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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Neriifolin chemical structure, C30H46O8, CAS 466-07-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
466-07-9
Formula
C30H46O8
Molar mass
534.69 g/mol
EC number
207-372-5
HS code
293890
Category
Cardiovascular and metabolic drugs

What is Neriifolin?

Plain description, key identifiers and synonyms

Neriifolin is a cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia. It has a role as a toxin, a cardiotonic drug and a neuroprotective agent. It is functionally related to a digitoxigenin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-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
466-07-9 CAS number cross-checked
EC number
207-372-5
Molecular formula
C30H46O8
UNII
5RD2ADS9WV
MDL number
MFCD00869436
InChIKey
VPUNMTHWNSJUOG-BAOINKAISA-N
InChI
InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1
Canonical SMILES
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O

Synonyms

  • Digitoxigenin 3-(alpha-L-thevetoside)
  • 3beta-(6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
  • 17beta-Neriifolin
  • Digitoxigenin + thevetose
  • 17b-Neriifolin
  • 17|?-Neriifolin
  • 3beta-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide
  • Digitoxigenin 3-(alpha-L-thevetoside), Neriifolin
  • (3beta,5beta)-3-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]card-20(22)-enolide
  • (5beta)-3beta-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
  • 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-
  • Card-20(22)-enolide, 3-((6-deoxy-3-o-methyl-alpha-l-glucopyranosyl)oxy)-14-hydroxy-, (3beta,5.beta.)-

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
534.69 g/molcalc.
Exact mass
534.3193 Dacalc.
LogP (octanol/water)
3.11calc.
Topological polar surface area
114.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
38calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
13calc.
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=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1

6 rings, 30 atoms.

167 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
Precautionary statements (18)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Neriifolin suppliers

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Where suppliers are based

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Neriifolin 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

Roles

  • cardiotonic drug
  • cardiovascular drug
  • metabolite
  • neuroprotective agent
  • pharmaceutical
  • poison
  • protective agent
  • toxin

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 Neriifolin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Neriifolin?

Neriifolin is a cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia.

What is the CAS number of Neriifolin?

The CAS registry number of Neriifolin is 466-07-9.

What is the molecular formula and weight of Neriifolin?

The molecular formula of Neriifolin is C30H46O8 and its molar mass is 534.69 g/mol.

What is Neriifolin used for?

Known uses and roles of Neriifolin include cardiovascular drugs in pharmaceuticals, cardiotonic drug, cardiovascular drug, metabolite, neuroprotective agent and 4 more.

Is Neriifolin hazardous?

Neriifolin carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Neriifolin?

Neriifolin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neriifolin?

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

What is the price of Neriifolin?

Suppliers quote Neriifolin 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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