| CAS Number | 796865-82-2 |
| Catalog Number | AG008LNB(AGN-PC-05J3AN) |
| Chemical Name | N-Formyl Varenicline |
| IUPAC Name | 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carbaldehyde |
| InChI | InChI=1S/C14H13N3O/c18-8-17-6-9-3-10(7-17)12-5-14-13(4-11(9)12)15-1-2-16-14/h1-2,4-5,8-10H,3,6-7H2 |
| InChI Key | WFXWKRXICPYTSW-UHFFFAOYSA-N |
| MDL Number | MFCD18252576 |
| Molecular Formula | C14H13N3O |
| Molecular Weight | 239.2725 |
| SMILES | O=CN1CC2CC(C1)c3cc4nccnc4cc23 |
| Synonyms | N-Formyl Varenicline,
796865-82-2,
N-Formylvarenicline,
SCHEMBL8203012,
CTK8F0467,
DTXSID30437901,
AKOS030254495,
RT-014436,
FT-0668860,
6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,
CS-O-05919,
CID10308042,
CID 10308042,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.278g/mol |
| Monoisotopic Mass | 239.106g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number