U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H37N3O5
Molecular Weight 495.6105
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [1,8-Dioxo-8-(phenylamino)octyl]azanyl 8-oxo-8-(phenylamino)octanoate

SMILES

O=C(CCCCCCC(=O)NC1=CC=CC=C1)NOC(=O)CCCCCCC(=O)NC2=CC=CC=C2

InChI

InChIKey=VNJJOKIXYAKANS-UHFFFAOYSA-N
InChI=1S/C28H37N3O5/c32-25(29-23-15-7-5-8-16-23)19-11-1-2-13-21-27(34)31-36-28(35)22-14-4-3-12-20-26(33)30-24-17-9-6-10-18-24/h5-10,15-18H,1-4,11-14,19-22H2,(H,29,32)(H,30,33)(H,31,34)

HIDE SMILES / InChI

Molecular Formula C28H37N3O5
Molecular Weight 495.6105
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:20:52 GMT 2025
Edited
by admin
on Wed Apr 02 17:20:52 GMT 2025
Record UNII
42FSX57KZ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N<sup>1</sup>-[[8-Oxo-8-(phenylamino)octanoyl]oxy]-N<sup>8</sup>-phenyloctanediamide
Preferred Name English
[1,8-Dioxo-8-(phenylamino)octyl]azanyl 8-oxo-8-(phenylamino)octanoate
Systematic Name English
Octanoic acid, 8-oxo-8-(phenylamino)-, [1,8-dioxo-8-(phenylamino)octyl]azanyl ester
Systematic Name English
Octanediamide, N-[[1,8-dioxo-8-(phenylamino)octyl]oxy]-N?-phenyl-
Systematic Name English
Code System Code Type Description
CAS
866824-87-5
Created by admin on Wed Apr 02 17:20:52 GMT 2025 , Edited by admin on Wed Apr 02 17:20:52 GMT 2025
PRIMARY
FDA UNII
42FSX57KZ5
Created by admin on Wed Apr 02 17:20:52 GMT 2025 , Edited by admin on Wed Apr 02 17:20:52 GMT 2025
PRIMARY
PUBCHEM
11518876
Created by admin on Wed Apr 02 17:20:52 GMT 2025 , Edited by admin on Wed Apr 02 17:20:52 GMT 2025
PRIMARY