CAS Registry Number®
35523-89-8
CAS Name
Saxitoxin
Molecular Formula
C10H17N7O4
Molecular Mass
299.29
Other Names and Identifiers
InChI
InChI=1S/C10H17N7O4/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)/t4-,5-,10-/m0/s1
InChIKey
InChIKey=RPQXVSUAYFXFJA-HGRQIUPRSA-N
SMILES
OC1(O)[C@]23[C@]([C@H](COC(N)=O)N=C(N)N2CC1)(N=C(N)N3)[H]
Canonical SMILES
O=C(OCC1N=C(N)N2CCC(O)(O)C32NC(=NC13)N)N
Other Names for this Substance
- 1H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, (3aS,4R,10aS)-
- Saxitoxin
- 1H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, [3aS-(3aα,4α,10aR*)]-
- (3aS,4R,10aS)-2,6-Diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol
- Saxitoxin hydrate
- STX
- (+)-Saxitoxin
Deleted or Replaced CAS Registry Numbers
11017-04-2, 51938-46-6, 55803-44-6
