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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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
6W2049SJPH
Record Status Validated (UNII)
Record Version