Product Identifiers
Catalog # | NX74770 |
PubChem CID | 73010579 |
Chemical Name | 3-Amino-4,5-dihydro-9-fluoro-1H-benzo[b]azepin-2(3H)-one hemioxalate |
IUPAC Name | 3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one;oxalate |
InChI | InChI=1S/2C10H11FN2O.C2H2O4/c2*11-7-3-1-2-6-4-5-8(12)10(14)13-9(6)7;3-1(4)2(5)6/h2*1-3,8H,4-5,12H2,(H,13,14);(H,3,4)(H,5,6)/p-2 |
InChIKey | IWKHIIODCXGZFF-UHFFFAOYSA-L |
SMILES | NC1CCc2cccc(F)c2NC1=O.NC3CCc4cccc(F)c4NC3=O.[O-]C(=O)C(=O)[O-] |
MDL Number | MFCD11858609 |
Specification
MW | 476.4 |
MF | C22H22F2N4O6-2 |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |