Compound Summary


  Compound Information
 Benzalkonium

Compound Name:

Benzalkonium

Compound CID:

2330

Synonyms:

Benzalkonium

Benzyldimethyltridecylammonium

47309-59-1

SPBio_001472

Spectrum_001442

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Iupac Name:

benzyl-dimethyl-tridecylazanium

InChI:

InChI=1S/C22H40N/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1

InChIKey:

VVZBFOKBSDGVGZ-UHFFFAOYSA-N

Canonical Smiles:

CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

Isomeric Smiles:

CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

Molecular Weight:

318.6

Molecular Formula:

C22H40N+

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Benzalkonium

Molecular Weight:

318.6

Molecular Formula:

C22H40N+

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

0

Rotatable Bond Count:

14

Heavy Atom Count:

23

Complexity:

253

  Synonyms
 Benzalkonium

Benzalkonium Benzalkonium

Benzalkonium

Benzyldimethyltridecylammonium

47309-59-1

SPBio_001472

Spectrum_001442

Spectrum2_001566

Spectrum3_001597

Spectrum4_000861

Spectrum5_001097

Benzyldimethyltridecylaminium

BSPBio_003194

KBioGR_001521

KBioSS_001922

DivK1c_000825

SCHEMBL7125738

CHEMBL1187417

KBio1_000825

KBio2_001922

KBio2_004490

KBio2_007058

KBio3_002694

NINDS_000825

ZINC8214735

IDI1_000825

QTL1_000011

N-Benzyl-N,N-dimethyltridecan-1-aminium

NCGC00178214-01

NCGC00178214-02

NCGC00178214-04

SBI-0051833.P002

FT-0622628

AB00053823_02

  Experimental Data
 Benzalkonium

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Drosophila melanogaster 20 umol/L 45.44 48.21 6.104 NS FEMALES 33008901 Inactive
Drosophila melanogaster 200 umol/L 44.8 43.59 -2.694 NS MALES 33008901 Inactive
  Experimental Data Visualization
 Benzalkonium

  Statistics Data
 Benzalkonium

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Drosophila melanogaster 6.104 1 2
  Statistics Data Visualization
 Benzalkonium