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(Q82019255)
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English
NSC36842
chemical compound
2-(1,2-Dimethyl-1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
321.136493468
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₉NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1c(C(CC(=O)c2ccccc2)C(=O)O)c2ccccc2n1C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H19NO3/c1-13-19(15-10-6-7-11-17(15)21(13)2)16(20(23)24)12-18(22)14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H,23,24)
0 references
InChIKey
XGUUQXUGNXOCLX-UHFFFAOYSA-N
0 references
CAS Registry Number
6266-65-5
reason for deprecated rank
deprecated identifier value
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PubChem CID
235455
1 reference
matched by identifier from
InChIKey
InChIKey
XGUUQXUGNXOCLX-UHFFFAOYSA-N
UniChem compound ID
68714308
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00284343
1 reference
matched by identifier from
InChIKey
InChIKey
XGUUQXUGNXOCLX-UHFFFAOYSA-N
DTXSID60986457
1 reference
matched by identifier from
InChIKey
InChIKey
XGUUQXUGNXOCLX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80235494
0 references
DTXCID50879086
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NSC number
36842
0 references
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