Product Identifiers
Catalog # | NX74662 |
PubChem CID | 102547182 |
Chemical Name | [(1R)-1-(3,5-Difluorophenyl)ethyl][(1S)-1-phenylethyl]ammonium fumarate |
IUPAC Name | (E)-but-2-enedioic acid;(1S)-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-1-phenylethanamine |
InChI | InChI=1S/C16H17F2N.C4H4O4/c1-11(13-6-4-3-5-7-13)19-12(2)14-8-15(17)10-16(18)9-14;5-3(6)1-2-4(7)8/h3-12,19H,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t11-,12+;/m0./s1 |
InChIKey | XISWOTLLVWRMNA-HMPIEQSLSA-N |
SMILES | C[C@H](N[C@H](C)c1cc(F)cc(F)c1)c2ccccc2.OC(=O)\C=C\C(=O)O |
MDL Number | MFCD25978113 |
Specification
MW | 377.4 |
MF | C20H21F2NO4 |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |