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Chemical substance record

Saxitoxin

35523-89-8C10H17N7O4299.291 g/mol
Organic/Inorganic Small MoleculeChEBI source record

An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number35523-89-8ChEBI ↗
Molecular formulaC10H17N7O4ChEBI ↗
Molar mass299.291 g/molChEBI ↗
Monoisotopic mass299.1342 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:34970ChEBI ↗

Cross-source molecular data

PubChem
Molar mass299.29 g/molPubChem ↗
Exact mass299.13420205 DaPubChem ↗
Computed XLogP-4.6PubChem ↗
Topological polar surface area (Ų)185PubChem ↗
H-bond donors6PubChem ↗
H-bond acceptors6PubChem ↗
Rotatable bonds3PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
saxitoxin
[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
RPQXVSUAYFXFJA-HGRQIUPRSA-N
[H][C@@]12NC(=N)N[C@]13N(CCC3(O)O)C(=N)N[C@H]2COC(N)=O
InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1

Names & synonyms

[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
pyrrolopurineChEBI parent class · 136861 ↗paralytic shellfish toxinChEBI parent class · 167564 ↗alkaloidChEBI parent class · 22315 ↗carbamate esterChEBI parent class · 23003 ↗guanidinesChEBI parent class · 24436 ↗ketone hydrateChEBI parent class · 63734 ↗
alcoholesterorganic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

toxinsodium channel blockerneurotoxinmarine metabolitecyanotoxin

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00334123 mol

Uses 299.291 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 10 atoms
40.13%
N
Nitrogen · 7 atoms
32.76%
O
Oxygen · 4 atoms
21.38%
H
Hydrogen · 17 atoms
5.73%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Evolution of saxitoxin synthesis in cyanobacteria and dinoflagellates. ↗Molecular biology and evolution · 2013 Jan · PMID 22628533
Evolution and distribution of saxitoxin biosynthesis in dinoflagellates. ↗Marine drugs · 2013 Aug 8 · PMID 23966031
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:34970

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 56947150 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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