Saxitoxin in acetic acid

Analyte Name

Saxitoxin dihydrochloride

CAS Number

35554-08-6

Molecular Formula

C10 H17 N7 O4 . 2 Cl H

Molecular Weight

372.2084

Measured Value

9.8 mg/kg

Accurate Mass

371.0876

SMILES

Cl.Cl.NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23NC(=N)N[C@@H]13

InChI

InChI=1S/C10H17N7O4.2ClH/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);2*1H/t4-,5-,10-;;/m0../s1

IUPAC

[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diimino-3,3a,4,5,8,9-hexahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate;dihydrochloride

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

BELGIUM

Tariff Code

38220000