(Q82471937)

English

3-[(1S)-5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine N-oxide

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

340.158706132 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

3-[(1R)-5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine N-oxide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₁FN₂O₂

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canonical SMILES

C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[N+](C)(CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-]

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Identifiers

InChI

InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1

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InChIKey

DIOGFDCEWUUSBQ-FQEVSTJZSA-N

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0 references

1 reference

matched by identifier from

InChIKey

DIOGFDCEWUUSBQ-FQEVSTJZSA-N

1 reference

1 reference

matched by identifier from

InChIKey

DIOGFDCEWUUSBQ-FQEVSTJZSA-N

DSSTOX compound identifier

DTXCID70531699

0 references

UNII

JMR4KG3QUN

1 reference

matched by identifier from

InChIKey

DIOGFDCEWUUSBQ-FQEVSTJZSA-N

(Q82471937)

3-[(1S)-5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine N-oxide

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