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(Q110220114)
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English
ADB-BINACA
chemical compound
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzyl-1H-indazole-3-carboxamide
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
ADB-BINACA structure.png
826 × 902; 35 KB
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mass
364.189926008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄N₄O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)(C)C(NC(=O)c1nn(Cc2ccccc2)c2ccccc12)C(N)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H24N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h4-12,18H,13H2,1-3H3,(H2,22,26)(H,23,27)
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InChIKey
IUFIUAWRCUVUCQ-UHFFFAOYSA-N
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CAS Registry Number
1185282-27-2
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ChemSpider ID
57621565
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PubChem CID
129406620
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58124382
1 reference
matched by identifier from
InChIKey
InChIKey
IUFIUAWRCUVUCQ-UHFFFAOYSA-N
UniChem compound ID
155001369
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501344812
1 reference
matched by identifier from
InChIKey
InChIKey
IUFIUAWRCUVUCQ-UHFFFAOYSA-N
UNII
PUVP61SOSI
reason for deprecated rank
cannot be confirmed by other sources
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Probes And Drugs ID
PD044597
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ADB-BINACA
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