| CAS Number | 446031-79-4 |
| Catalog Number | AG01E4I7(AGN-PC-0WOIHO) |
| Chemical Name | SSR180711 (hydrochloride) |
| IUPAC Name | (4-bromophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C14H17BrN2O2.ClH/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16;/h1-4,12H,5-10H2;1H |
| InChI Key | YNBXNVUZXFMNSJ-UHFFFAOYSA-N |
| MDL Number | MFCD30182319 |
| Molecular Formula | C14H18BrClN2O2 |
| Molecular Weight | 361.6619 |
| SMILES | N12CCC(CC1)N(C(OC1=CC=C(Br)C=C1)=O)CC2.[H]Cl |
| Synonyms | 446031-79-4,
SSR-180711C,
SSR-180711,
SSR180711Hydrochloride,
SSR 180711 hydrochloride,
SCHEMBL2910246,
SSR-180711A,
AKOS027470208,
4-bromophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate hydrochloride,
YNBXNVUZXFMNSJ-UHFFFAOYSA-N,
CID9928899,
(4-bromophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate Hydrochloride,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.664g/mol |
| Monoisotopic Mass | 360.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number