| CAS Number | 847871-78-7 |
| Catalog Number | AG00G595(AGN-PC-0UTTR9) |
| Chemical Name | N-(4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxamide hydrochloride |
| IUPAC Name | N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole-3-carboxamide;hydrochloride |
| InChI | InChI=1S/C25H28N4O2.ClH/c1-27-13-15-28(16-14-27)23-17-19(8-10-24(23)31-2)26-25(30)29-12-11-21-20-6-4-3-5-18(20)7-9-22(21)29;/h3-10,17H,11-16H2,1-2H3,(H,26,30);1H |
| InChI Key | RAKGNVNONBJBSW-UHFFFAOYSA-N |
| MDL Number | MFCD22683842 |
| Molecular Formula | C25H29ClN4O2 |
| Molecular Weight | 452.9764 |
| SMILES | CN1CCN(C2=C(OC)C=CC(NC(N3C(C=CC4=CC=CC=C45)=C5CC3)=O)=C2)CC1.Cl |
| Synonyms | S 32212 hydrochloride,
847871-78-7,
S 32212 HCl,
1,2-Dihydro-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-3H-benz[e]indole-3-carboxamide hydrochloride,
SCHEMBL6104411,
AKOS024458195,
CID11487816,
CID 11487816,
A13501,
|
| Complexity | 623 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.983g/mol |
| Monoisotopic Mass | 452.198g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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