U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27NO3
Molecular Weight 401.4975
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BENZYLDEFLUOROPAROXETINE

SMILES

C(OC1=CC=C2OCOC2=C1)[C@@H]3CN(CC4=CC=CC=C4)CC[C@H]3C5=CC=CC=C5

InChI

InChIKey=UMGXHHAKAJMOIQ-UPVQGACJSA-N
InChI=1S/C26H27NO3/c1-3-7-20(8-4-1)16-27-14-13-24(21-9-5-2-6-10-21)22(17-27)18-28-23-11-12-25-26(15-23)30-19-29-25/h1-12,15,22,24H,13-14,16-19H2/t22-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H27NO3
Molecular Weight 401.4975
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
JYG4WJC5VS
Record Status Validated (UNII)
Record Version