| CAS Number | 100295-63-4 |
| Catalog Number | AG00964G(AGN-PC-0OPKYJ) |
| Chemical Name | Cyproheptadine N-Oxide |
| IUPAC Name | 1-methyl-1-oxido-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium |
| InChI | InChI=1S/C21H21NO/c1-22(23)14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 |
| InChI Key | AIAORTASLOWFGX-UHFFFAOYSA-N |
| MDL Number | MFCD07964735 |
| Molecular Formula | C21H21NO |
| Molecular Weight | 303.3975 |
| SMILES | C[N+]1([O-])CCC(=C2c3ccccc3C=Cc4ccccc24)CC1 |
| Synonyms | Cyproheptadine N-Oxide,
Cyproheptadine beta-N-Oxide,
Cyproheptadine alpha-N-Oxide,
SCHEMBL11839295,
100295-63-4,
4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-1-oxidopiperidin-1-ium,
4-(dibenzo[2,1-b:1',2'-e][7]annulen-11-ylidene)-1-methyl-1-oxidopiperidin-1-ium,
54381-42-9,
60251-34-5,
CID11403922,
CID 11403922,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.405g/mol |
| Monoisotopic Mass | 303.162g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 18.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number