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Details

Stereochemistry ACHIRAL
Molecular Formula C15H21FN2O2.ClH
Molecular Weight 316.799
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PXS-4728A

SMILES

Cl.CC(C)(C)NC(=O)C1=CC=C(OC\C(CN)=C\F)C=C1

InChI

InChIKey=AEMZEDNMNLIDSL-YGCVIUNWSA-N
InChI=1S/C15H21FN2O2.ClH/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17;/h4-8H,9-10,17H2,1-3H3,(H,18,19);1H/b11-8+;

HIDE SMILES / InChI

Molecular Formula C15H21FN2O2
Molecular Weight 280.3378
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q16853
Gene ID: 8639.0
Gene Symbol: AOC3
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:54:33 GMT 2023
Edited
by admin
on Sat Dec 16 10:54:33 GMT 2023
Record UNII
6W2049SJPH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PXS-4728A
Common Name English
BI-1467335
Code English
BENZAMIDE, 4-(((2E)-2-(AMINOMETHYL)-3-FLUORO-2-PROPEN-1-YL)OXY)-N-(1,1-DIMETHYLETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
71812246
Created by admin on Sat Dec 16 10:54:33 GMT 2023 , Edited by admin on Sat Dec 16 10:54:33 GMT 2023
PRIMARY
CAS
1478364-68-9
Created by admin on Sat Dec 16 10:54:33 GMT 2023 , Edited by admin on Sat Dec 16 10:54:33 GMT 2023
PRIMARY
SMS_ID
300000019553
Created by admin on Sat Dec 16 10:54:33 GMT 2023 , Edited by admin on Sat Dec 16 10:54:33 GMT 2023
PRIMARY
FDA UNII
6W2049SJPH
Created by admin on Sat Dec 16 10:54:33 GMT 2023 , Edited by admin on Sat Dec 16 10:54:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY