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Heterocyclic building blocks

Phalloin

Also known as Phalloine, Phalloidin, 7-(4-hydroxy-L-leucine)-

CAS 28227-92-1Formula C35H48N8O10SMolar mass 772.88 g/mol
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Phalloin chemical structure, C35H48N8O10S, CAS 28227-92-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28227-92-1
Formula
C35H48N8O10S
Molar mass
772.88 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Phalloin?

Plain description, key identifiers and synonyms

phalloin has been reported in Amanita phalloides, Amanita bisporigera, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
CAS number
28227-92-1
Molecular formula
C35H48N8O10S
InChIKey
VVAHMTWEOWYEHQ-UHFFFAOYSA-N
InChI
InChI=1S/C35H48N8O10S/c1-15-27(46)38-22-11-20-19-8-6-7-9-21(19)41-33(20)54-14-24(34(52)43-13-18(45)10-25(43)31(50)37-15)40-32(51)26(17(3)44)42-28(47)16(2)36-30(49)23(39-29(22)48)12-35(4,5)53/h6-9,15-18,22-26,41,44-45,53H,10-14H2,1-5H3,(H,36,49)(H,37,50)(H,38,46)(H,39,48)(H,40,51)(H,42,47)
SMILES (canonical and isomeric)
CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(C)O)C)C(C)O

Synonyms

  • Phalloine
  • Phalloidin, 7-(4-hydroxy-L-leucine)-

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
772.88 g/molcalc.
Exact mass
772.3214 Dacalc.
LogP (octanol/water)
-2.72calc.
Topological polar surface area
271.4 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
3calc.
Heavy atoms
54calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
9calc.
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=C1CNC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)CN1)C(=O)N1CCCC1C(=O)NCC(=O)N2

O=C1CNC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)CN1)C(=O)N1CCCC1C(=O)NCC(=O)N2

5 rings, 43 atoms.

26 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.

Phalloin suppliers

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Phalloin 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

How it is made

Coupling of the s-chloride of boc tert-butyloxycarbonyl-alanyl-d-threonyl-cysteinyl-allo-hydroxyproline with alanyl-tryptophyl-gamma-hydroxyleucine lactone gave a thioether, which on cyclization yielded boc-secophalloin lactone. Removal of the boc residue, opening of the lactone ring and a 2nd cyclization led to phalloin, which proved identical with the natural toxin in physical and toxicological respects.

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 Phalloin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Phalloin?

phalloin has been reported in Amanita phalloides, Amanita bisporigera, and other organisms.

What is the CAS number of Phalloin?

The CAS registry number of Phalloin is 28227-92-1.

What is the molecular formula and weight of Phalloin?

The molecular formula of Phalloin is C35H48N8O10S and its molar mass is 772.88 g/mol.

What is Phalloin used for?

Known uses and roles of Phalloin include building blocks in research and laboratory.

Is Phalloin hazardous?

No GHS hazard classification for Phalloin 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 Phalloin?

Phalloin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phalloin?

Post a free request on CompoundList and suppliers of Phalloin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Phalloin?

Suppliers quote Phalloin 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 Phalloin

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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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