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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24FNO5
Molecular Weight 449.4709
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-PHENOXYCARBONYLPAROXETINE

SMILES

FC1=CC=C(C=C1)[C@@H]2CCN(C[C@H]2COC3=CC=C4OCOC4=C3)C(=O)OC5=CC=CC=C5

InChI

InChIKey=XHNUMAXRQGMHKZ-CVDCTZTESA-N
InChI=1S/C26H24FNO5/c27-20-8-6-18(7-9-20)23-12-13-28(26(29)33-21-4-2-1-3-5-21)15-19(23)16-30-22-10-11-24-25(14-22)32-17-31-24/h1-11,14,19,23H,12-13,15-17H2/t19-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H24FNO5
Molecular Weight 449.4709
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 19:00:47 GMT 2023
Edited
by admin
on Sat Dec 16 19:00:47 GMT 2023
Record UNII
RRK5K64ES7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-PHENOXYCARBONYLPAROXETINE
Common Name English
(-)-TRANS-4-(4-FLUOROPHENYL)-3-(3,4-METHYLENEDIOXYPHENOXYMETHYL)-1-PHENOXYCARBONYLPIPERIDINE
Systematic Name English
1-PIPERIDINECARBOXYLIC ACID, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-, PHENYL ESTER, (3S,4R)-
Systematic Name English
PHENYL (3S,4R)-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-1-PIPERIDINECARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
9955342
Created by admin on Sat Dec 16 19:00:47 GMT 2023 , Edited by admin on Sat Dec 16 19:00:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID201119074
Created by admin on Sat Dec 16 19:00:47 GMT 2023 , Edited by admin on Sat Dec 16 19:00:47 GMT 2023
PRIMARY
FDA UNII
RRK5K64ES7
Created by admin on Sat Dec 16 19:00:47 GMT 2023 , Edited by admin on Sat Dec 16 19:00:47 GMT 2023
PRIMARY
CAS
253768-88-6
Created by admin on Sat Dec 16 19:00:47 GMT 2023 , Edited by admin on Sat Dec 16 19:00:47 GMT 2023
PRIMARY
Related Record Type Details
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