Annotation Hits
N
Screening or library annotations
Compound
AB-PINACA carboxylic acid metabolite
NSID
NS00204569
SMILES
CCCCCN1N=C(C2=CC=CC=C21)C(N[C@H](C(C)C)C(O)=O)=O
InChI
InChI=1S/C18H25N3O3/c1-4-5-8-11-21-14-10-7-6-9-13(14)16(20-21)17(22)19-15(12(2)3)18(23)24/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H,19,22)(H,23,24)/t15-/m1/s1
InChIKey
HCGKRLHOLBHGBK-OAHLLOKOSA-N
CAS Number
—
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).