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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29NO8
Molecular Weight 447.4783
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYATOMOXETINE-O-GLUCURONIDE

SMILES

CNCC[C@@H](OC1=C(C)C=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C3=CC=CC=C3

InChI

InChIKey=DJWNPJFKTPNTAE-AJYYVVFWSA-N
InChI=1S/C23H29NO8/c1-13-12-15(30-23-20(27)18(25)19(26)21(32-23)22(28)29)8-9-16(13)31-17(10-11-24-2)14-6-4-3-5-7-14/h3-9,12,17-21,23-27H,10-11H2,1-2H3,(H,28,29)/t17-,18+,19+,20-,21+,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-METHYL-4-((1R)-3-(METHYLAMINO)-1-PHENYLPROPOXY)PHENYL
Preferred Name English
4-HYDROXYATOMOXETINE-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-METHYL-4-((1R)-3-(METHYLAMINO)-1-PHENYLPROPOXY)PHENYL
Systematic Name English
Code System Code Type Description
FDA UNII
UUS82IU3JO
Created by admin on Mon Mar 31 20:53:09 GMT 2025 , Edited by admin on Mon Mar 31 20:53:09 GMT 2025
PRIMARY
CAS
540729-08-6
Created by admin on Mon Mar 31 20:53:09 GMT 2025 , Edited by admin on Mon Mar 31 20:53:09 GMT 2025
PRIMARY
PUBCHEM
29981145
Created by admin on Mon Mar 31 20:53:09 GMT 2025 , Edited by admin on Mon Mar 31 20:53:09 GMT 2025
PRIMARY