| CAS Number | 1204480-26-1 |
| Catalog Number | AG01E034 |
| Chemical Name | 10-(3-Aminopropyl)-3,4-dimethylacridin-9(10H)-one maleate |
| IUPAC Name | 10-(3-aminopropyl)-3,4-dimethylacridin-9-one;(Z)-but-2-enedioic acid |
| InChI | InChI=1S/C18H20N2O.C4H4O4/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21;5-3(6)1-2-4(7)8/h3-4,6-9H,5,10-11,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChI Key | WVUQPGFRFBVJKH-BTJKTKAUSA-N |
| MDL Number | MFCD08703129 |
| Molecular Formula | C22H24N2O5 |
| Molecular Weight | 396.4364 |
| SMILES | C(\C=C/C(=O)O)(=O)O.NCCCN1C=2C(=C(C=CC2C(C2=CC=CC=C12)=O)C)C |
| Synonyms | ER 27319 MALEATE,
1204480-26-1,
ER27319Maleate,
201010-95-9,
SCHEMBL18228628,
HMS3269G19,
HMS3677B03,
AKOS024457119,
10-(3-Aminopropyl)-3,4-dimethyl-9(10H)-acridinone maleate,
|
| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 396.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.443g/mol |
| Monoisotopic Mass | 396.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number