Toxin C2
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
Molecular Identity
Toxin C2
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
PubChem CID: 49789086
2D Structure
Properties
C10H17N7O11S2
Molecular Formula
475.40
Molecular Weight
g/mol
475.0427
Exact Mass
Da
-6.5
XLogP
Drug-like (Lipinski: < 5)
306
TPSA
May have limited oral absorption
8
H-Bond Donors
13
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)OIsomeric SMILES
SMILES: C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)OSynonyms(20)
Gonyautoxin viiiToxin C2GTX880226-62-6Gonyautoxin-VIII((3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo(1,2-c)purin-4-yl)methoxycarbonylsulfamic acid[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acidRefChem:898643Gonyautoxin 8Protogonyautoxin IIToxin PX2GTX VIIIN-Sulfocarbamoylgonyautoxin 3Toxin C2 from ProtogonyaulaxCarbamoyl-N-sulfogonyautoxin III
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Toxin C2
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