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Details

Stereochemistry RACEMIC
Molecular Formula C16H20N2O
Molecular Weight 256.3428
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYLDOXYLAMINE

SMILES

CNCCOC(C)(C1=CC=CC=C1)C2=CC=CC=N2

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

Approval Year

Unknown
139594
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
EPA CompTox
DTXSID001000095
Created by admin on Sat Dec 16 09:33:39 GMT 2023 , Edited by admin on Sat Dec 16 09:33:39 GMT 2023
PRIMARY
CAS
78868-03-8
Created by admin on Sat Dec 16 09:33:39 GMT 2023 , Edited by admin on Sat Dec 16 09:33:39 GMT 2023
PRIMARY
FDA UNII
M36G349I9I
Created by admin on Sat Dec 16 09:33:39 GMT 2023 , Edited by admin on Sat Dec 16 09:33:39 GMT 2023
PRIMARY
PUBCHEM
135338
Created by admin on Sat Dec 16 09:33:39 GMT 2023 , Edited by admin on Sat Dec 16 09:33:39 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of DOXYLAMINE
NIH
NCATS
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