Anodyne| Neosaxitoxin | |
|---|---|
 | |
| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C10H17N7O5[1] |
| Molecular mass | 315.29 g/mol[1] |
| Predicted LogP | -4.3[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| 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[1] |
| SMILES | C1CN2C(=N)N([C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)O[1] |
| InChI | InChI=1S/C10H17N7O5/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)/t4-,5-,10-/m0/s1[1] |
| InChIKey | PPEKGEBBBBNZKS-HGRQIUPRSA-N[1] |
| Dosing |
|---|
Neosaxitoxin
Neosaxitoxin (also known as NeoSTX, neosaxitoxina, (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-diol, [(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 carbamate, [(3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate, 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-(3aα,4α,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-(3aα,4α,10aR))- or neo-STX) is a neurotoxin substance of the amino acid class.
Chemistry
Stereochemistry
Neosaxitoxin is a absolute mixture