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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27NO8
Molecular Weight 433.4517
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

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

SMILES

CC1=C(O[C@H](CCN)C2=CC=CC=C2)C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1

InChI

InChIKey=OCYYTTFFKJKWEH-ZJICWGJPSA-N
InChI=1S/C22H27NO8/c1-12-11-14(29-22-19(26)17(24)18(25)20(31-22)21(27)28)7-8-15(12)30-16(9-10-23)13-5-3-2-4-6-13/h2-8,11,16-20,22,24-26H,9-10,23H2,1H3,(H,27,28)/t16-,17+,18+,19-,20+,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-DESMETHYL-4-HYDROXYATOMOXETINE-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1R)-3-AMINO-1-PHENYLPROPOXY)-3-METHYLPHENYL
Systematic Name English
4-HYDROXY-N-DESMETHYL-ATOMOXETINE-O-GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
156028033
Created by admin on Sat Dec 16 09:09:45 GMT 2023 , Edited by admin on Sat Dec 16 09:09:45 GMT 2023
PRIMARY
CAS
540729-10-0
Created by admin on Sat Dec 16 09:09:45 GMT 2023 , Edited by admin on Sat Dec 16 09:09:45 GMT 2023
PRIMARY
FDA UNII
K7CZE2U76P
Created by admin on Sat Dec 16 09:09:45 GMT 2023 , Edited by admin on Sat Dec 16 09:09:45 GMT 2023
PRIMARY