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

Details

Stereochemistry RACEMIC
Molecular Formula C16H20N2O
Molecular Weight 256.3434
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYLDOXYLAMINE

SMILES

CC(c1ccccc1)(c2ccccn2)OCCNC

InChI

InChIKey=VCONERXBEFNHJS-UHFFFAOYSA-N
InChI=1S/C16H20N2O/c1-16(19-13-12-17-2,14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,17H,12-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H20N2O
Molecular Weight 256.3434
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 Jun 26 01:52:46 UTC 2021
Edited
by admin
on Sat Jun 26 01:52:46 UTC 2021
Record UNII
M36G349I9I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYLDOXYLAMINE
Common Name English
DEMETHYLDOXYLAMINE
Common Name English
ETHANAMINE, N-METHYL-2-(1-PHENYL-1-(2-PYRIDINYL)ETHOXY)-
Systematic Name English
Code System Code Type Description
CAS
78868-03-8
Created by admin on Sat Jun 26 01:52:46 UTC 2021 , Edited by admin on Sat Jun 26 01:52:46 UTC 2021
PRIMARY
FDA UNII
M36G349I9I
Created by admin on Sat Jun 26 01:52:46 UTC 2021 , Edited by admin on Sat Jun 26 01:52:46 UTC 2021
PRIMARY
PUBCHEM
135338
Created by admin on Sat Jun 26 01:52:46 UTC 2021 , Edited by admin on Sat Jun 26 01:52:46 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Could be free or glucuronide conjugate
URINE