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Details

Stereochemistry ACHIRAL
Molecular Formula C26H38NO3
Molecular Weight 412.5848
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of OCTIBENZONIUM

SMILES

CCCCCCCC[N+](C)(C)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=BVAVJZIACKCFTI-UHFFFAOYSA-N
InChI=1S/C26H38NO3/c1-4-5-6-7-8-15-20-27(2,3)21-22-30-25(28)26(29,23-16-11-9-12-17-23)24-18-13-10-14-19-24/h9-14,16-19,29H,4-8,15,20-22H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C26H37NO3
Molecular Weight 411.5769
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:28:41 GMT 2023
Edited
by admin
on Sat Dec 16 01:28:41 GMT 2023
Record UNII
TQ799E6OAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTIBENZONIUM
Common Name English
OCTIBENZONIUM CATION
Common Name English
1-OCTANAMINIUM, N-(2-((HYDROXYDIPHENYLACETYL)OXY)ETHYL)-N,N-DIMETHYL-
Systematic Name English
(2-HYDROXYETHYL)DIMETHYLOCTYLAMMONIUM, BENZILATE ESTER
Common Name English
OCTIBENZONIUM ION
Common Name English
Code System Code Type Description
PUBCHEM
34047
Created by admin on Sat Dec 16 01:28:42 GMT 2023 , Edited by admin on Sat Dec 16 01:28:42 GMT 2023
PRIMARY
FDA UNII
TQ799E6OAQ
Created by admin on Sat Dec 16 01:28:42 GMT 2023 , Edited by admin on Sat Dec 16 01:28:42 GMT 2023
PRIMARY
CAS
744138-89-4
Created by admin on Sat Dec 16 01:28:42 GMT 2023 , Edited by admin on Sat Dec 16 01:28:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID80225411
Created by admin on Sat Dec 16 01:28:42 GMT 2023 , Edited by admin on Sat Dec 16 01:28:42 GMT 2023
PRIMARY
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