| CAS Number | 202646-03-5 |
| Catalog Number | AG00BJR2(AGN-PC-04V2UX) |
| Chemical Name | AHN 1-055 (hydrochloride) |
| IUPAC Name | 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride |
| InChI | InChI=1S/C21H23F2NO.ClH/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15;/h2-9,18-21H,10-13H2,1H3;1H |
| InChI Key | YOORVSGDAHWVMC-UHFFFAOYSA-N |
| MDL Number | MFCD00671778 |
| Molecular Formula | C21H24ClF2NO |
| Molecular Weight | 379.8712 |
| SMILES | C1C[C@H]2N(C)[C@@H]1C[C@@H](OC(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1)C2.Cl |
| Synonyms | 202646-03-5,
3alpha-Bis-(4-fluorophenyl) methoxytropane hydrochloride,
CHEMBL543113,
SCHEMBL6676047,
CTK8F5220,
AKOS024458695,
SR-01000597867,
J-013166,
SR-01000597867-1,
3 -Bis-(4-fluorophenyl) methoxytropane hydrochloride,
3?-Bis-(4-fluorophenyl) methoxytropane hydrochloride,
3 alpha-Bis-(4-fluorophenyl) methoxytropane hydrochloride,
-Bis-(4-fluorophenyl) methoxytropane hydrochloride,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.876g/mol |
| Monoisotopic Mass | 379.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number