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Cardiovascular and metabolic drugs

Bufalin

Also known as 3,14-Dihydroxy-bufa-20,22-dienolide, 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide, 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide

CAS 465-21-4Formula C24H34O4Molar mass 386.53 g/molEC 621-198-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 12 suppliers listed
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Bufalin chemical structure, C24H34O4, CAS 465-21-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
465-21-4
Formula
C24H34O4
Molar mass
386.53 g/mol
EC number
621-198-0
HS code
293220
Category
Cardiovascular and metabolic drugs

What is Bufalin?

Plain description, key identifiers and synonyms

Bufalin is a 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo. It has a role as an antineoplastic agent, a cardiotonic drug, an anti-inflammatory agent and an animal metabolite. It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It is functionally related to a bufanolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS number
465-21-4 CAS number cross-checked
EC number
621-198-0
Molecular formula
C24H34O4
UNII
U549S98QLW
MDL number
MFCD30207876
InChIKey
QEEBRPGZBVVINN-BMPKRDENSA-N
InChI
InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1
Canonical SMILES
CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O
Isomeric SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

Synonyms

  • 3,14-Dihydroxy-bufa-20,22-dienolide
  • 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide
  • 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide
  • 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
  • 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy-
  • 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-
  • Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)-
  • Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)-
  • 5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)pyran-2-one
  • 5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
  • (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide
  • (3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide
  • Bufalin?
  • Ch'an su
  • BUF
  • Bufalin (Standard)
  • Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-,
  • 3beta,14-Dihydroxy-5beta-bufa-20,22-dienolide
  • HSCI1_000110
  • 5-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
  • 3?,14-dihydroxy-5?-bufa-20,22-dienolide
  • (3ss,5ss)-3,14-Dihydroxybufa-20,22-dienolide
  • (3?,5?)-3,14-Dihydroxy-bufa-20,22-dienolide

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
386.53 g/molcalc.
Exact mass
386.2457 Dacalc.
LogP (octanol/water)
4.24calc.
Topological polar surface area
70.67 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
28calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (0 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=c1ccc(C2CCC3C2CCC2C4CCCCC4CCC23)co1

O=c1ccc(C2CCC3C2CCC2C4CCCCC4CCC23)co1

5 rings, 24 atoms.

43 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.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Bufalin suppliers

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All 12 suppliers
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Where suppliers are based

12 suppliers in 3 countries

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Bufalin 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

Pharmacological actions

  • Antineoplastic Agents
  • Cardiotonic Agents
  • Enzyme Inhibitors

Roles

  • animal metabolite
  • anti-inflammatory agent
  • antineoplastic agent
  • cardiotonic drug
  • cardiovascular drug
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical

Pharmacology

Bufalin is an active ingredient and one of the glycosides in the traditional Chinese medicine ChanSu, it is also a bufadienolide toxin originally isolated from the venom of the Chinese toad Bufo gargarizans, with potential cardiotonic and antineoplastic activity. Although the mechanism of action of bufalin is still under investigation, this agent is a specific Na+/K+-ATPase inhibitor and can induce apoptosis in cancer cell lines through the activation of the transcription factor AP-1 via a mitogen activated protein kinase (MAPK) pathway.

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

Frequently asked questions

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

What is Bufalin?

Bufalin is a 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo. It has a role as an antineoplastic agent, a cardiotonic drug, an anti-inflammatory agent and an animal metabolite.

What is the CAS number of Bufalin?

The CAS registry number of Bufalin is 465-21-4.

What is the molecular formula and weight of Bufalin?

The molecular formula of Bufalin is C24H34O4 and its molar mass is 386.53 g/mol.

What is Bufalin used for?

Known uses and roles of Bufalin include cardiovascular drugs in pharmaceuticals, anticancer drugs in pharmaceuticals, biochemical and pharmacological tools in research and laboratory, animal metabolite, anti-inflammatory agent and 9 more.

Is Bufalin hazardous?

Bufalin carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Bufalin?

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

Where can I buy Bufalin?

CompoundList lists 12 suppliers of Bufalin in United States, China and Hong Kong. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Bufalin?

Suppliers quote Bufalin 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 Bufalin

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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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