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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18FN3.C2H2O4
Molecular Weight 385.3889
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(R)-(3-Amino-4-fluorophenyl)[(cyclopropylmethyl)amino]methyl]benzonitrile oxalate

SMILES

OC(=O)C(O)=O.NC1=CC(=CC=C1F)[C@H](NCC2CC2)C3=CC=CC(=C3)C#N

InChI

InChIKey=SREAIVQZBXRIRK-GMUIIQOCSA-N
InChI=1S/C18H18FN3.C2H2O4/c19-16-7-6-15(9-17(16)21)18(22-11-12-4-5-12)14-3-1-2-13(8-14)10-20;3-1(4)2(5)6/h1-3,6-9,12,18,22H,4-5,11,21H2;(H,3,4)(H,5,6)/t18-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-[(R)-(3-Amino-4-fluorophenyl)[(cyclopropylmethyl)amino]methyl]benzonitrile oxalate
Systematic Name English
Benzonitrile, 3-[(R)-(3-amino-4-fluorophenyl)[(cyclopropylmethyl)amino]methyl]-, ethanedioate (1:1)
Preferred Name English
Code System Code Type Description
PUBCHEM
166437440
Created by admin on Wed Apr 02 19:17:03 GMT 2025 , Edited by admin on Wed Apr 02 19:17:03 GMT 2025
PRIMARY
FDA UNII
6TJF9DE4RS
Created by admin on Wed Apr 02 19:17:03 GMT 2025 , Edited by admin on Wed Apr 02 19:17:03 GMT 2025
PRIMARY
CAS
2602377-11-5
Created by admin on Wed Apr 02 19:17:03 GMT 2025 , Edited by admin on Wed Apr 02 19:17:03 GMT 2025
PRIMARY