Product Identifiers
Catalog # | NX74663 |
PubChem CID | 102547181 |
Chemical Name | [(1R)-1-(2-Fluorophenyl)ethyl][(1S)-1-phenylethyl]ammonium fumarate |
IUPAC Name | (E)-but-2-enedioic acid;(1S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylethanamine |
InChI | InChI=1S/C16H18FN.C4H4O4/c1-12(14-8-4-3-5-9-14)18-13(2)15-10-6-7-11-16(15)17;5-3(6)1-2-4(7)8/h3-13,18H,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,13+;/m0./s1 |
InChIKey | NHYJARQSVAOUSQ-PANLECEVSA-N |
SMILES | C[C@H](N[C@H](C)c1ccccc1F)c2ccccc2.OC(=O)\C=C\C(=O)O |
MDL Number | MFCD25978112 |
Specification
MW | 359.4 |
MF | C20H22FNO4 |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |