Annotation Hits
N
Screening or library annotations
Compound
Decarbamoylneosaxitoxin
NSID
NS00097710
SMILES
C1CN2C(=N)N([C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)CO)O;NC1=N[C@H]2[C@H](CO)N(O)C(=N)N3CCC(O)(O)[C@]23N1
InChI
InChI=1S/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)
InChIKey
KUMXVBFFVVLQFX-UHFFFAOYSA-N
CAS Number
68683-58-9
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
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Patent stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).