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

Details

Stereochemistry RACEMIC
Molecular Formula C18H22N2O2
Molecular Weight 298.3795
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL-N-ACETYLDOXYLAMINE

SMILES

CN(CCOC(C)(C1=CC=CC=C1)C2=CC=CC=N2)C(C)=O

InChI

InChIKey=PZRMZDOVUNZFIK-UHFFFAOYSA-N
InChI=1S/C18H22N2O2/c1-15(21)20(3)13-14-22-18(2,16-9-5-4-6-10-16)17-11-7-8-12-19-17/h4-12H,13-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H22N2O2
Molecular Weight 298.3795
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:33:40 UTC 2023
Edited
by admin
on Sat Dec 16 09:33:40 UTC 2023
Record UNII
HBP663F15H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL-N-ACETYLDOXYLAMINE
Common Name English
ACETAMIDE, N-METHYL-N-(2-(1-PHENYL-1-(2-PYRIDINYL)ETHOXY)ETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
602844
Created by admin on Sat Dec 16 09:33:40 UTC 2023 , Edited by admin on Sat Dec 16 09:33:40 UTC 2023
PRIMARY
CAS
97143-66-3
Created by admin on Sat Dec 16 09:33:40 UTC 2023 , Edited by admin on Sat Dec 16 09:33:40 UTC 2023
PRIMARY
FDA UNII
HBP663F15H
Created by admin on Sat Dec 16 09:33:40 UTC 2023 , Edited by admin on Sat Dec 16 09:33:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE