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Saxitoxin-[15N4] Bis-heptafluorobutyric acid salt

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General Information
Catalog: BLP-004204
Molecular Formula: C18H19F14N3[15N]4O8
Molecular Weight: 731.30

Chemical Structure

Description	Saxitoxin-[15N4] Bis-heptafluorobutyric acid salt is a labelled metabolite of Saxitoxin.
Synonyms	{[(4R,10aS,10bR)-10,10-dihydroxy-2,6-diimino-decahydro(3,5-15N2)pyrrolo[1,2-c]purin-4-yl]methoxy}carboximidic acid
IUPAC Name	[(3aS,4R,10aS)-2,6-bis(15N)(azanyl)-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate;2,2,3,3,4,4,4-heptafluorobutanoic acid
Related CAS	884335-29-9 (unlabelled)
Canonical SMILES	C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)COC(=O)N)N.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
InChI	InChI=1S/C10H17N7O4.2C4HF7O2/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6;25-2(6,1(12)13)3(7,8)4(9,10)11/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16);2(H,12,13)/t4-,5-,10-;;/m0../s1/i11+1,12+1,14+1,15+1;;
InChI Key	SNBMVFRFVUUFEL-OYKRHELNSA-N
Purity	>98%