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Steroids and sterols

Bufotoxin

Also known as Vulgarobufotoxin, Regularo-bufotoxin, Bufotalin 3-suberoylarginine ester

CAS 464-81-3Formula C40H60N4O10Molar mass 756.94 g/mol
1 supplier listed
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Bufotoxin chemical structure, C40H60N4O10, CAS 464-81-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
464-81-3
Formula
C40H60N4O10
Molar mass
756.94 g/mol
HS code
293220
Category
Steroids and sterols

What is Bufotoxin?

Plain description, key identifiers and synonyms

bufotoxin has been reported in Phrynoidis asper, Bufo gargarizans, and Bufo bufo.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[8-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CAS number
464-81-3
Molecular formula
C40H60N4O10
UNII
L30U3VAH5C
InChIKey
HDTHCLKLBSPBIS-JBXNKDOXSA-N
InChI
InChI=1S/C40H60N4O10/c1-24(45)53-31-22-40(51)29-14-13-26-21-27(16-18-38(26,2)28(29)17-19-39(40,3)35(31)25-12-15-33(47)52-23-25)54-34(48)11-7-5-4-6-10-32(46)44-30(36(49)50)9-8-20-43-37(41)42/h12,15,23,26-31,35,51H,4-11,13-14,16-22H2,1-3H3,(H,44,46)(H,49,50)(H4,41,42,43)/t26-,27+,28+,29-,30+,31+,35+,38+,39-,40+/m1/s1
Canonical SMILES
CC(=O)OC1CC2(O)C3CCC4CC(OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1
Isomeric SMILES
CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)OC(=O)CCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)O

Synonyms

  • Vulgarobufotoxin
  • Regularo-bufotoxin
  • Bufotalin 3-suberoylarginine ester
  • 5-beta-Bufa-20,22-dienolide, 3-beta,14,16-beta-trihydroxy-, 16-acetate, 3-N(sup 2)-esterwith N(sup 2)-(7-carboxyheptanoyl)-L-arginine
  • 4-18-00-02557 (Beilstein Handbook Reference)
  • bufotalin-3-O-suberate-arginine
  • 3-(N-suberoyl argininyl)bufotalin
  • (3beta,5beta,16.beta.)-16-(acetyloxy)-3-((8-(((1S)-4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1,8-dioxooctyl)oxy)-14-hydroxybufa-20,22-dienolide
  • 5-beta-Bufa-20,22-dienolide, 3-beta,14,16-beta-trihydroxy-, 16-acetate, 3-n(sup 2)-esterwith n(sup 2)-(7- carboxyheptanoyl)-l-arginine
  • Arginine, n2-(7-carboxyheptanoyl)-, n2->3-ester with 3beta,14,16beta-trihydroxy-5beta-bufa-20,22-dienolide 16-acetate, l-
  • Bufa-20,22-dienolide, 16-(acetyloxy)-3-((8-(((1S)-4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1,8-dioxooctyl)oxy)-14-hydroxy-, (3beta,5beta,16.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
756.94 g/molcalc.
Exact mass
756.4309 Dacalc.
LogP (octanol/water)
4.3calc.
Topological polar surface area
233.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
16calc.
Heavy atoms
54calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
10calc.
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=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

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.

Bufotoxin suppliers

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Bufotoxin?

bufotoxin has been reported in Phrynoidis asper, Bufo gargarizans, and Bufo bufo.

What is the CAS number of Bufotoxin?

The CAS registry number of Bufotoxin is 464-81-3.

What is the molecular formula and weight of Bufotoxin?

The molecular formula of Bufotoxin is C40H60N4O10 and its molar mass is 756.94 g/mol.

Is Bufotoxin hazardous?

No GHS hazard classification for Bufotoxin 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 Bufotoxin?

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

Where can I buy Bufotoxin?

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

What is the price of Bufotoxin?

Suppliers quote Bufotoxin 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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