Decarbamoylsaxitoxin

cas: 58911-04-9 — see every product listed under this CAS number, including other names

Decarbamoylsaxitoxin (CAS 58911-04-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-135000-Get quote
cas58911-04-9
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Structural formula: {0} (CAS {1})

Decarbamoylsaxitoxin is a pyrrolopurine that is 2,6-diiminodecahydropyrrolo[1,2-c]purine carrying an additional hydroxymethyl substituent at position 4 as well as two hydroxy substituents at position 10. A toxin that is isolated from marine dinoflagellates and cyanobacteria and is known to cause paralytic shellfish poisoning. It has a role as a toxin, a xenobiotic, a neurotoxin, a marine metabolite and a bacterial metabolite. It is a pyrrolopurine, a primary alcohol, a paralytic shellfish toxin, an alkaloid, a member of guanidines and a ketone hydrate.

Source: ChEBI

Identity
Molecular formulaC9H16N6O3
Molecular weight256.26 g/mol
IUPAC name(3aS,4R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
InChIKeyVRRIYZJUSNMZMP-PJPYAQQDSA-N
SMILESC1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)CO)N

Computed by PubChem (NCBI)

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