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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22F9N3O2.ClH
Molecular Weight 543.854
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABX-1431 hydrochloride

SMILES

Cl.FC(F)(F)C(OC(=O)N1CCN(CC2=CC=C(C=C2N3CCCC3)C(F)(F)F)CC1)C(F)(F)F

InChI

InChIKey=VEAIHOOKWZFFMY-UHFFFAOYSA-N
InChI=1S/C20H22F9N3O2.ClH/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29;/h3-4,11,16H,1-2,5-10,12H2;1H

HIDE SMILES / InChI

Molecular Formula C20H22F9N3O2
Molecular Weight 507.3932
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
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

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:17:55 GMT 2025
Edited
by admin
on Wed Apr 02 06:17:55 GMT 2025
Record UNII
NQ6TN949I3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Piperazinecarboxylic acid, 4-[[2-(1-pyrrolidinyl)-4-(trifluoromethyl)phenyl]methyl]-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester, hydrochloride (1:1)
Preferred Name English
ABX-1431 hydrochloride
Code English
Code System Code Type Description
FDA UNII
NQ6TN949I3
Created by admin on Wed Apr 02 06:17:55 GMT 2025 , Edited by admin on Wed Apr 02 06:17:55 GMT 2025
PRIMARY
CAS
2043074-64-0
Created by admin on Wed Apr 02 06:17:55 GMT 2025 , Edited by admin on Wed Apr 02 06:17:55 GMT 2025
PRIMARY
PUBCHEM
134522559
Created by admin on Wed Apr 02 06:17:55 GMT 2025 , Edited by admin on Wed Apr 02 06:17:55 GMT 2025
PRIMARY
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