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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO4
Molecular Weight 329.3902
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXY ESREBOXETINE (5-HYDROXY ETHOXYPHENOXY RING)-

SMILES

[H][C@]1(CNCCO1)[C@@H](OC2=CC(O)=CC=C2OCC)C3=CC=CC=C3

InChI

InChIKey=SHPSERQFHJFJAW-OALUTQOASA-N
InChI=1S/C19H23NO4/c1-2-22-16-9-8-15(21)12-17(16)24-19(14-6-4-3-5-7-14)18-13-20-10-11-23-18/h3-9,12,18-21H,2,10-11,13H2,1H3/t18-,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
HYDROXY ESREBOXETINE (5-HYDROXY ETHOXYPHENOXY RING)-
Common Name English
HYDROXY REBOXETINE, (S,S)-(5-HYDROXY ETHOXYPHENOXY RING)-
Common Name English
PHENOL, 4-ETHOXY-3-((S)-(2S)-2-MORPHOLINYLPHENYLMETHOXY)-
Systematic Name English
4-ETHOXY-3-(2-MORPHOLINYLPHENYLMETHOXY)PHENOL, (S,S)-
Common Name English
Code System Code Type Description
FDA UNII
T9VO56B0SZ
Created by admin on Sat Dec 16 16:48:23 GMT 2023 , Edited by admin on Sat Dec 16 16:48:23 GMT 2023
PRIMARY
PUBCHEM
76974555
Created by admin on Sat Dec 16 16:48:23 GMT 2023 , Edited by admin on Sat Dec 16 16:48:23 GMT 2023
PRIMARY
CAS
252570-35-7
Created by admin on Sat Dec 16 16:48:23 GMT 2023 , Edited by admin on Sat Dec 16 16:48:23 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of REBOXETINE
NIH
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