CAS 64296-20-4PubChem CID 21117946
Neosaxitoxin
- IUPAC name
- [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
- Molecular formula
- C10H17N7O5
- Molecular weight
- 315.29 g/mol
- Exact mass
- 315.12911667 Da
- XLogP3
- -4.3
- Topological polar surface area
- 194.0 Ų
- Hydrogen-bond donors
- 7
- Hydrogen-bond acceptors
- 7
- Covalent units
- 1
- Defined stereocentres
- 3
Also known as
NeoSTX6YRL8BWD9HCHEBI:167561(3aS,4R,10aS)-2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-1H,10H-pyrrolo(1,2-c)purine-10,10-diol1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS,4R,10aS)-((3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl carbamate[(3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamateRefChem:165395
8 more reported names
((4R,10aS,10bS)-2-amino-5,10,10-trihydroxy-6-imino-3H,4H,5H,6H,8H,9H,10H,10bH-pyrrolo(1,2-c)purin-4-yl)methyl carbamateneosaxitoxinaNSTX[(3aS,4R,10aS)-2-Amino-5,10,10-trihydroxy-6-imino-3a,4,5,6,9,10-hexahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,5,6,9,10-hexahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL, 2-AMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,5,6,8,9-HEXAHYDRO-5-HYDROXY-6-IMINO-, (3AS-(3A.ALPHA.,4.ALPHA.,10AR*))-1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-((aminocarbonyl)oxy)methyl-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS,4R,10aS)-1H,10H-Pyrrolo(1,2-c)purine-10,10-diol, 2-amino-4-((aminocarbonyl)oxy)methyl-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, (3aS-(3aalpha,4alpha,10aR*))-
External database identifiers
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.