| CAS Number | 205989-12-4 |
| Catalog Number | AG00C33L(AGN-PC-0N2QDY) |
| Chemical Name | Luotonine A |
| IUPAC Name | 3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaen-10-one |
| InChI | InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2 |
| InChI Key | LUMDXNLBIYLTER-UHFFFAOYSA-N |
| MDL Number | MFCD16876401 |
| Molecular Formula | C18H11N3O |
| Molecular Weight | 285.2994 |
| SMILES | O=C1C=2C=CC=CC2N=C3C4=NC=5C=CC=CC5C=C4CN13 |
| Synonyms | luotonin A,
LUOTONIN A,
205989-12-4,
Luotonine A,
CHEMBL19163,
BDBM50223906,
ZINC28222051,
CID10334120,
CID 10334120,
|
| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.306g/mol |
| Monoisotopic Mass | 285.09g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number