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Details

Stereochemistry ACHIRAL
Molecular Formula C26H50NO2.Br
Molecular Weight 488.585
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENOCTONIUM BROMIDE

SMILES

[Br-].CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2

InChI

InChIKey=DWUPDLOTOYWYQT-UHFFFAOYSA-M
InChI=1S/C26H50NO2.BrH/c1-4-7-8-9-10-15-20-27(5-2,6-3)21-22-29-26(28)25(23-16-11-12-17-23)24-18-13-14-19-24;/h23-25H,4-22H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H50NO2
Molecular Weight 408.6807
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Description

Penoctonium, a chemotherapeutic agent was used in microbial studies. However, information about the further development of this compound is not available.

Approval Year

PubMed

Substance Class Chemical
Record UNII
HF11NTT6MZ
Record Status Validated (UNII)
Record Version