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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

[H][C@@]3(COC1=CC2=C(OCO2)C=C1)CN(CC4=CC=CC=C4)CC[C@@]3([H])C5=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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:29:29 GMT 2023
Edited
by admin
on Sat Dec 16 18:29:29 GMT 2023
Record UNII
JYG4WJC5VS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BENZYLDEFLUOROPAROXETINE
Common Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-PHENYL-1-(PHENYLMETHYL)-, TRANS-(-)-
Systematic Name English
(3S,4R)-3-(((1,3-BENZODIOXOL-5-YL)OXY)METHYL)-1-BENZYL-4-PHENYLPIPERIDINE
Systematic Name English
Code System Code Type Description
FDA UNII
JYG4WJC5VS
Created by admin on Sat Dec 16 18:29:29 GMT 2023 , Edited by admin on Sat Dec 16 18:29:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID301125921
Created by admin on Sat Dec 16 18:29:29 GMT 2023 , Edited by admin on Sat Dec 16 18:29:29 GMT 2023
PRIMARY
CAS
105813-40-9
Created by admin on Sat Dec 16 18:29:29 GMT 2023 , Edited by admin on Sat Dec 16 18:29:29 GMT 2023
PRIMARY
PUBCHEM
57481164
Created by admin on Sat Dec 16 18:29:29 GMT 2023 , Edited by admin on Sat Dec 16 18:29:29 GMT 2023
PRIMARY
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