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Insecticides and acaricides

Neosaxitoxin

Also known as NeoSTX, (3aS,4R,10aS)-2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-1H,10H-pyrrolo(1,2-c)purine-10,10-diol, 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS,4R,10aS)-

CAS 64296-20-4Formula C10H17N7O5Molar mass 315.29 g/molEC 809-831-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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Neosaxitoxin chemical structure, C10H17N7O5, CAS 64296-20-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64296-20-4
Formula
C10H17N7O5
Molar mass
315.29 g/mol
EC number
809-831-0
HS code
293980
Category
Insecticides and acaricides

What is Neosaxitoxin?

Plain description, key identifiers and synonyms

Neosaxitoxin is a pyrrolopurine that is saxitoxin carrying a hydroxy substituent on the nitrogen atom at position 5. It is a sodium channel blocker that is undergoing clinical trials as a prolonged-duration local anesthetic. It has a role as a toxin, a local anaesthetic, a voltage-gated sodium channel blocker, a neurotoxin, an anti-inflammatory agent, a marine metabolite and a cyanotoxin. It is a pyrrolopurine, a paralytic shellfish toxin, an alkaloid, a carbamate ester, a member of guanidines, a member of hydroxylamines and a ketone hydrate. It is functionally related to a saxitoxin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
CAS number
64296-20-4 CAS number cross-checked
EC number
809-831-0
Molecular formula
C10H17N7O5
UNII
6YRL8BWD9H
INCI name
NEOSAXITOXIN
InChIKey
PPEKGEBBBBNZKS-HGRQIUPRSA-N
InChI
InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
Canonical SMILES
N=C1N(O)C(COC(N)=O)C2N=C(N)NC23N1CCC3(O)O
Isomeric SMILES
C1CN2C(=N)N([C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)O

Synonyms

  • NeoSTX
  • (3aS,4R,10aS)-2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-1H,10H-pyrrolo(1,2-c)purine-10,10-diol
  • 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS,4R,10aS)-
  • ((3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl carbamate
  • [(3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
  • ((4R,10aS,10bS)-2-amino-5,10,10-trihydroxy-6-imino-3H,4H,5H,6H,8H,9H,10H,10bH-pyrrolo(1,2-c)purin-4-yl)methyl carbamate
  • neosaxitoxina
  • NSTX
  • [(3aS,4R,10aS)-2-Amino-5,10,10-trihydroxy-6-imino-3a,4,5,6,9,10-hexahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
  • [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,5,6,9,10-hexahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
  • 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3as-(3a.alpha.,4alpha,10ar*))-
  • 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-((aminocarbonyl)oxy)methyl-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS,4R,10aS)-
  • 1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-((aminocarbonyl)oxy)methyl-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS-(3aalpha,4alpha,10aR*))-

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
315.29 g/molcalc.
Exact mass
315.1291 Dacalc.
LogP (octanol/water)
-3.54calc.
Topological polar surface area
193.8 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
3calc.
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, N=C1NCC2N=CNC23CCCN13

N=C1NCC2N=CNC23CCCN13

3 rings, 13 atoms.

7 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

Neosaxitoxin suppliers

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1 supplier in 1 country

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Neosaxitoxin 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

Cosmetic ingredient, INCI name NEOSAXITOXIN(antioxidant, antiperspirant, astringent, colorant)

Pharmacological actions

  • Insecticides
  • Neuromuscular Blocking Agents

Roles

  • aetiopathogenetic role
  • anaesthetic
  • anti-inflammatory agent
  • bacterial metabolite
  • biophysical role
  • cyanotoxin
  • local anaesthetic
  • marine metabolite
  • membrane transport modulator
  • metabolite
  • neurotoxin
  • pharmaceutical
  • poison
  • prokaryotic metabolite
  • sodium channel blocker
  • sodium channel modulator
  • toxin
  • voltage-gated sodium channel blocker

Functional uses

  • Antioxidant
  • Antiperspirant
  • Astringent
  • Dye
  • Humectant

Cosmetic functions

  • Antioxidant
  • Antiperspirant
  • Astringent
  • Colorant
  • Skin protecting

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Neosaxitoxin is traded under.

HS 2939.80Indicative HS code

Natural or reproduced by synthesis, and their salts, esters and other derivatives not elsewhere classified…

World exports in 2024
$49.3M
+13.2% vs 2023, imports $61.4M
2019 to 2024
Top exporters
  1. China31.7%
  2. India * partner reported23.1%
  3. South Africa7.8%
Top importers
  1. Austria28.6%
  2. United States11.9%
  3. United Kingdom7.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Neosaxitoxin is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Neosaxitoxin?

Neosaxitoxin is a pyrrolopurine that is saxitoxin carrying a hydroxy substituent on the nitrogen atom at position 5. It is a sodium channel blocker that is undergoing clinical trials as a prolonged-duration local anesthetic.

What is the CAS number of Neosaxitoxin?

The CAS registry number of Neosaxitoxin is 64296-20-4.

What is the molecular formula and weight of Neosaxitoxin?

The molecular formula of Neosaxitoxin is C10H17N7O5 and its molar mass is 315.29 g/mol.

What is Neosaxitoxin used for?

Known uses and roles of Neosaxitoxin include antioxidants in cosmetics and personal care, skin conditioning agents in cosmetics and personal care, colorants in cosmetics and personal care, insecticides in agriculture and crop protection, aetiopathogenetic role and 26 more.

Is Neosaxitoxin hazardous?

Neosaxitoxin 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 Neosaxitoxin?

Neosaxitoxin is usually classified under HS code 293980 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neosaxitoxin?

CompoundList lists 1 supplier of Neosaxitoxin 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 Neosaxitoxin?

Suppliers quote Neosaxitoxin 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 Neosaxitoxin

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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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