Neosaxitoxin dihydrochloride solution in dilute aqueous hydrochloric acid

Analyte Name

Neosaxitoxin Dihydrochloride

Molecular Formula

C10 H17 N7 O5 . 2HCl

Molecular Weight

388.21

Concentration

20.3 µg/g

Accurate Mass

387.0825

SMILES

Cl.Cl.NC(=O)OC[C@H]1[C@@H]2NC(=N)N[C@]23N(CCC3(O)O)C(=N)N1O

InChI

InChI=1S/C10H17N7O5.2ClH/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);2*1H/t4-,5-,10-;;/m0../s1

IUPAC

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

Alternate CAS Number

Free base: 64296-20-4

Storage Temperature

-80°C

Shipping Temperature

Dry ice

Country of Origin

SPAIN

Tariff Code

38220000

Matrix

Hydrochloric Acid