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Details

Stereochemistry RACEMIC
Molecular Formula C22H25F2N3O
Molecular Weight 385.4502
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-423579, (±)-

SMILES

CN(C)C1CCN(CCCOC2=C(F)C=C(C=C2F)C3=CC=C(C=C3)C#N)C1

InChI

InChIKey=DJXFZKXYKKBTDR-UHFFFAOYSA-N
InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H25F2N3O
Molecular Weight 385.4502
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:14:04 GMT 2025
Edited
by admin
on Wed Apr 02 16:14:04 GMT 2025
Record UNII
7V2TE8XVV6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-423579, (±)-
Code English
4?-[3-(3-Dimethylaminopyrrolidin-1-yl)propoxy]-3?,5?-difluorobiphenyl-4-carbonitrile
Preferred Name English
[1,1?-Biphenyl]-4-carbonitrile, 4?-[3-[3-(dimethylamino)-1-pyrrolidinyl]propoxy]-3?,5?-difluoro-
Systematic Name English
4?-[3-[3-(Dimethylamino)-1-pyrrolidinyl]propoxy]-3?,5?-difluoro[1,1?-biphenyl]-4-carbonitrile
Systematic Name English
Code System Code Type Description
CAS
568590-38-5
Created by admin on Wed Apr 02 16:14:04 GMT 2025 , Edited by admin on Wed Apr 02 16:14:04 GMT 2025
PRIMARY
PUBCHEM
22994515
Created by admin on Wed Apr 02 16:14:04 GMT 2025 , Edited by admin on Wed Apr 02 16:14:04 GMT 2025
PRIMARY
FDA UNII
7V2TE8XVV6
Created by admin on Wed Apr 02 16:14:04 GMT 2025 , Edited by admin on Wed Apr 02 16:14:04 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE