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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22FNO3
Molecular Weight 343.392
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYLPAROXETINE

SMILES

CN1CC[C@H]([C@H](COC2=CC=C3OCOC3=C2)C1)C4=CC=C(F)C=C4

InChI

InChIKey=MOJZPKOBKCXNKG-YJBOKZPZSA-N
InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H22FNO3
Molecular Weight 343.392
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
4.3 nM [Ki]
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:13:41 GMT 2023
Edited
by admin
on Fri Dec 15 19:13:41 GMT 2023
Record UNII
3X658583PO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYLPAROXETINE
Common Name English
PAROXETINE RELATED COMPOUND F [USP-RS]
Common Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-1-METHYL-, (3S-TRANS)-
Systematic Name English
(3S,4R)-3-((BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-1-METHYLPIPERIDINE
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-1-METHYL-, (3S,4R)-
Systematic Name English
(-)-TRANS-4-(4-FLUOROPHENYL)-3-(3,4-METHYLENEDIOXYPHENOXYMETHYL)-1-METHYLPIPERIDINE
Systematic Name English
Code System Code Type Description
PUBCHEM
10947895
Created by admin on Fri Dec 15 19:13:41 GMT 2023 , Edited by admin on Fri Dec 15 19:13:41 GMT 2023
PRIMARY
FDA UNII
3X658583PO
Created by admin on Fri Dec 15 19:13:41 GMT 2023 , Edited by admin on Fri Dec 15 19:13:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID20149243
Created by admin on Fri Dec 15 19:13:41 GMT 2023 , Edited by admin on Fri Dec 15 19:13:41 GMT 2023
PRIMARY
CAS
110429-36-2
Created by admin on Fri Dec 15 19:13:41 GMT 2023 , Edited by admin on Fri Dec 15 19:13:41 GMT 2023
PRIMARY
RS_ITEM_NUM
1500273
Created by admin on Fri Dec 15 19:13:41 GMT 2023 , Edited by admin on Fri Dec 15 19:13:41 GMT 2023
PRIMARY
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