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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H26FNO3
Molecular Weight 419.4879
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BENZYLPAROXETINE

SMILES

FC1=CC=C(C=C1)[C@@H]2CCN(CC3=CC=CC=C3)C[C@H]2COC4=CC=C5OCOC5=C4

InChI

InChIKey=AGTKMLMRHVWXHN-URXFXBBRSA-N
InChI=1S/C26H26FNO3/c27-22-8-6-20(7-9-22)24-12-13-28(15-19-4-2-1-3-5-19)16-21(24)17-29-23-10-11-25-26(14-23)31-18-30-25/h1-11,14,21,24H,12-13,15-18H2/t21-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H26FNO3
Molecular Weight 419.4879
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 19:04:40 GMT 2023
Edited
by admin
on Sat Dec 16 19:04:40 GMT 2023
Record UNII
MLV7RU9XDD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BENZYLPAROXETINE
Common Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-1-(PHENYLMETHYL)-, TRANS-(-)-
Systematic Name English
(-)-N-BENZYLPAROXETINE
Common Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-1-(PHENYLMETHYL)-, (3S,4R)-
Systematic Name English
(3S,4R)-3-(((1,3-BENZODIOXOL-5-YL)OXY)METHYL)-1-BENZYL-4-(4-FLUOROPHENYL)PIPERIDINE
Systematic Name English
Code System Code Type Description
FDA UNII
MLV7RU9XDD
Created by admin on Sat Dec 16 19:04:41 GMT 2023 , Edited by admin on Sat Dec 16 19:04:41 GMT 2023
PRIMARY
CAS
105813-14-7
Created by admin on Sat Dec 16 19:04:41 GMT 2023 , Edited by admin on Sat Dec 16 19:04:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID401123259
Created by admin on Sat Dec 16 19:04:41 GMT 2023 , Edited by admin on Sat Dec 16 19:04:41 GMT 2023
PRIMARY
PUBCHEM
9953865
Created by admin on Sat Dec 16 19:04:41 GMT 2023 , Edited by admin on Sat Dec 16 19:04:41 GMT 2023
PRIMARY
Related Record Type Details
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