(Q27166518)

benzethonium (English)

18 November 2016

chemical formula

C₂₇H₄₂NO₂⁺

1 reference

inferred from SMILES

canonical SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2

1 reference

Screening of acetogenin-producing plants in Brazilian flora

benzethonium (English)

18 November 2016

6 references

Qualitative and quantitative evaluation of annonaceous acetogenins by high performance liquid chromatography

Solamin, a cytotoxic mono-tetrahydrofuranic γ-lactone acetogenin from Annona muricata seeds

Two acetogenins from Annona muricata seeds

Epoxymurins A and B, two biogenetic precursors of annonaceous acetogenins from annona muricata

cis-monotetrahydrofuran acetogenins from the roots of annona muricata1

Annona glabra

1 reference

Specific interactions of monotetrahydrofuranic annonaceous acetogenins as inhibitors of mitochondrial complex I.

Annona reticulata

1 reference

Studies on the acetogenins of Formosan annonaceous plants. II. Cytotoxic acetogenins from Annona reticulata

Uvaria chamae

1 reference

Cis-bullatencin, a linear acetogenin from roots of Uvaria chamae

subject has role

local anti-infective agent

1 reference

Medical Subject Headings

MeSH descriptor ID

D001558

InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1

15 March 2018

Identifiers

InChI

1 reference

benzethonium (English)

18 November 2016

2 references

benzethonium (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

10172-60-8

1 reference

benzethonium (English)

18 November 2016

1 reference

AMMONIUM, BENZYLDIMETHYL(2-(2-(p-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL) (English)

18 November 2016

2 references

benzethonium (English)

18 November 2016

ChEBI ID

94725

mapping relation type

2 references

dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1

1 reference

BENZETHONIUM (English)

18 November 2016

2 references

inferred from InChIKey

MSBNK-Athens_Univ-AU284001

1 reference

MassBank accession ID

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Athens_Univ-AU284002

InChIKey match

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Athens_Univ-AU284003

InChIKey match

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Athens_Univ-AU284004

InChIKey match

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

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Benzethonium

0 references

0 references

0 references

1 reference

benzethonium (English)

18 November 2016

DrugBank ID

DB11125

1 reference

2 references

benzethonium (English)

18 November 2016

NDF-RT ID

N0000022975

1 reference

benzethonium (English)

18 November 2016

0 references

1 reference

1 reference

benzethonium (English)