BRN 0556336 (Q82006172)

chemical compound

[4-(2-Methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetic acid

Language	Label	Description	Also known as
English	BRN 0556336	chemical compound	[4-(2-Methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetic acid

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

288.1473925 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₀N₂O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1CCC2CC1N(C(=O)c1ccc(CC(=O)O)cc1)C2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C16H20N2O3/c1-17-7-6-12-8-14(17)18(10-12)16(21)13-4-2-11(3-5-13)9-15(19)20/h2-5,12,14H,6-10H2,1H3,(H,19,20)

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InChIKey

LVDCIFZWIXIYMZ-UHFFFAOYSA-N

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CAS Registry Number

5898-19-1

reason for deprecated rank

deprecated identifier value

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57269-43-9

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PubChem CID

93612

1 reference

matched by identifier from

InChIKey

LVDCIFZWIXIYMZ-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

LVDCIFZWIXIYMZ-UHFFFAOYSA-N

DTXSID10972769

1 reference

matched by identifier from

InChIKey

LVDCIFZWIXIYMZ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID40227279

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DTXCID60876283

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BRN 0556336 (Q82006172)

Statements

Identifiers

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BRN 0556336 (Q82006172)

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