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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19NO2
Molecular Weight 257.3276
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL-4-HYDROXYATOMOXETINE

SMILES

CC1=C(O[C@H](CCN)C2=CC=CC=C2)C=CC(O)=C1

InChI

InChIKey=RDBXJTRXTFVOGY-MRXNPFEDSA-N
InChI=1S/C16H19NO2/c1-12-11-14(18)7-8-15(12)19-16(9-10-17)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,17H2,1H3/t16-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N-DESMETHYL-4-HYDROXYATOMOXETINE
Common Name English
4-HYDROXY-N-DESMETHYLATOMOXETINE
Preferred Name English
PHENOL, 4-((1R)-3-AMINO-1-PHENYLPROPOXY)-3-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20202403
Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025
PRIMARY
FDA UNII
84KQ4VAL6M
Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025
PRIMARY
PUBCHEM
68400313
Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025
PRIMARY
CAS
540729-12-2
Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of ATOMOXETINE
NIH
NCATS
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