U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H9F2N.C8H8O3
Molecular Weight 321.3186
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINE R-MANDELATE

SMILES

O[C@@H](C(O)=O)C1=CC=CC=C1.N[C@@H]2C[C@H]2C3=CC=C(F)C(F)=C3

InChI

InChIKey=GUESUQPLVFMJIT-KLTOLQSASA-N
InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1

HIDE SMILES / InChI

Approval Year