| CAS Number | 683775-59-9 |
| Catalog Number | AG01CC7O(AGN-PC-0TSAWA) |
| Chemical Name | 1H-Pyrrole-2,5-dione,3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-,monohydrochloride |
| IUPAC Name | 3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride |
| InChI | InChI=1S/C23H20N4O2.ClH/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18;/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29);1H |
| InChI Key | NXIKRXJEVAWDAX-UHFFFAOYSA-N |
| MDL Number | MFCD01076633 |
| Molecular Formula | C23H21ClN4O2 |
| Molecular Weight | 420.8914 |
| SMILES | Cl.NCCCN1C=C(C2=CC=CC=C12)C=1C(NC(C1C1=CNC2=CC=CC=C12)=O)=O |
| Synonyms | Bisindolylmaleimide III, Hydrochloride,
SCHEMBL16371182,
CTK8F8193,
HMS3229B09,
Bisindolylmaleimide III hydrochloride,
2-[1-(3-Aminopropyl)-1H-indol-3-yl]-3-(1H-indol-3-yl)maleimide, HCl,
683775-59-9,
IN1517,
|
| Complexity | 705 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.135304g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 420.9g/mol |
| Monoisotopic Mass | 420.135304g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number