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Screening compounds

Toxin C2

Also known as Gonyautoxin viii, Gonyautoxin-VIII, ((3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo(1,2-c)purin-4-yl)methoxycarbonylsulfamic acid

CAS 80226-62-6Formula C10H17N7O11S2Molar mass 475.42 g/molEC 632-869-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Toxin C2 chemical structure, C10H17N7O11S2, CAS 80226-62-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80226-62-6
Formula
C10H17N7O11S2
Molar mass
475.42 g/mol
EC number
632-869-2
HS code
293359
Category
Screening compounds

What is Toxin C2?

Plain description, key identifiers and synonyms

Gonyautoxin viii has been reported in Anabaena, Alexandrium tamarense, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
CAS number
80226-62-6 CAS number cross-checked
EC number
632-869-2
Molecular formula
C10H17N7O11S2
UNII
2LE4MA9QXX
InChIKey
OKSSKVHGKYJNLL-LJRZAWCWSA-N
InChI
InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4-,5-,9-/m0/s1
Canonical SMILES
NC1=NC2C(COC(=O)NS(=O)(=O)O)N=C(N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1
Isomeric SMILES
C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)O

Synonyms

  • Gonyautoxin viii
  • Gonyautoxin-VIII
  • ((3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo(1,2-c)purin-4-yl)methoxycarbonylsulfamic acid
  • [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
  • Gonyautoxin 8
  • Protogonyautoxin II
  • Toxin PX2
  • GTX VIII
  • N-Sulfocarbamoylgonyautoxin 3
  • Toxin C2 from Protogonyaulax
  • Carbamoyl-N-sulfogonyautoxin III
  • Protogonyautoxin 2
  • C2 Toxin
  • Gonyautoxin
  • Carbamoyl-N-sulfo-11beta-hydroxysaxitoxin sulfate
  • ({[(3as,4r,9s,10as)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid
  • N-Sulfocarbamoylgonyautoxin-2
  • PX-2 (Protogonyautoxin 2)
  • Carbamic acid, sulfo-, C-(((3aS,4R,9S,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester
  • N-Sulfocarbamoylgonyautoxin 3DISCONTINUED
  • ({[(3aS,4R,9S,10aS)-2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid
  • Carbamic acid, N-sulfo-, C-[[(3aS,4R,9S,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl] ester

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
475.42 g/molcalc.
Exact mass
475.0427 Dacalc.
LogP (octanol/water)
-5.62calc.
Topological polar surface area
288.8 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
5calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (2 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, C1=NCC2N=CNC23CCCN13

C1=NCC2N=CNC23CCCN13

3 rings, 12 atoms.

37 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

Toxin C2 suppliers

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Toxin C2 price

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Uses and applications

What the substance is used for, by industry and function

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 Toxin C2 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Toxin C2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Toxin C2, based on the data on this page

What is Toxin C2?

Gonyautoxin viii has been reported in Anabaena, Alexandrium tamarense, and other organisms.

What is the CAS number of Toxin C2?

The CAS registry number of Toxin C2 is 80226-62-6.

What is the molecular formula and weight of Toxin C2?

The molecular formula of Toxin C2 is C10H17N7O11S2 and its molar mass is 475.42 g/mol.

What is Toxin C2 used for?

Known uses and roles of Toxin C2 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Toxin C2 hazardous?

Toxin C2 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 Toxin C2?

Toxin C2 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Toxin C2?

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What is the price of Toxin C2?

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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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