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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3S
Molecular Weight 343.44
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXY-6-METHOXY DULOXETINE

SMILES

CNCC[C@H](OC1=C2C=CC(OC)=C(O)C2=CC=C1)C3=CC=CS3

InChI

InChIKey=MHWRJCBZOCBFBD-INIZCTEOSA-N
InChI=1S/C19H21NO3S/c1-20-11-10-16(18-7-4-12-24-18)23-15-6-3-5-14-13(15)8-9-17(22-2)19(14)21/h3-9,12,16,20-21H,10-11H2,1-2H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H21NO3S
Molecular Weight 343.44
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:35:31 GMT 2025
Edited
by admin
on Mon Mar 31 20:35:31 GMT 2025
Record UNII
B18NZM26WW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HYDROXY-6-METHOXY DULOXETINE
Common Name English
1-NAPHTHALENOL, 2-METHOXY-5-((1S)-3-(METHYLAMINO)-1-(2-THIENYL)PROPOXY)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID00225135
Created by admin on Mon Mar 31 20:35:31 GMT 2025 , Edited by admin on Mon Mar 31 20:35:31 GMT 2025
PRIMARY
FDA UNII
B18NZM26WW
Created by admin on Mon Mar 31 20:35:31 GMT 2025 , Edited by admin on Mon Mar 31 20:35:31 GMT 2025
PRIMARY
CAS
741693-79-8
Created by admin on Mon Mar 31 20:35:31 GMT 2025 , Edited by admin on Mon Mar 31 20:35:31 GMT 2025
PRIMARY
PUBCHEM
29981679
Created by admin on Mon Mar 31 20:35:31 GMT 2025 , Edited by admin on Mon Mar 31 20:35:31 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE