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(Q82634138)
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English
1-(2,5-dicyclohexyl-3-hydroxy-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-4-yl)ethanone acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
417.25072911590996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₃N₄O₄⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)N1C2=C(N(NC2=CC(=C)N1C3CCCCC3)C4CCCCC4)O.CC(=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C20H30N4O2.C2H4O2/c1-14-13-18-19(20(26)22(21-18)16-9-5-3-6-10-16)24(15(2)25)23(14)17-11-7-4-8-12-17;1-2(3)4/h13,16-17,21,26H,1,3-12H2,2H3;1H3,(H,3,4)/p-1
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InChIKey
BGXFDWKMCZGQNG-UHFFFAOYSA-M
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CAS Registry Number
35426-81-4
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PubChem CID
53439970
1 reference
matched by identifier from
InChIKey
InChIKey
BGXFDWKMCZGQNG-UHFFFAOYSA-M
UniChem compound ID
67266558
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00702274
1 reference
matched by identifier from
InChIKey
InChIKey
BGXFDWKMCZGQNG-UHFFFAOYSA-M
DSSTOX compound identifier
DTXCID70653022
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