| CAS Number | 2095832-33-8 |
| Catalog Number | AG01EO4Q(AGN-PC-3H466M) |
| Chemical Name | DMA trihydrochloride |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride |
| InChI | InChI=1S/C27H28N6O2.3ClH/c1-32-10-12-33(13-11-32)19-6-8-21-23(16-19)31-26(29-21)17-4-7-20-22(14-17)30-27(28-20)18-5-9-24(34-2)25(15-18)35-3;;;/h4-9,14-16H,10-13H2,1-3H3,(H,28,30)(H,29,31);3*1H |
| InChI Key | NJYXXGULZHPSHV-UHFFFAOYSA-N |
| MDL Number | MFCD31544359 |
| Molecular Formula | C27H31Cl3N6O2 |
| Molecular Weight | 577.9330 |
| SMILES | CN(CC1)CCN1C(C=C2)=CC3=C2N=C(C4=CC=C(N=C(C5=CC(OC)=C(OC)C=C5)N6)C6=C4)N3.Cl.Cl.Cl |
| Synonyms | DMA (trihydrochloride),
2095832-33-8,
DMA trihydrochloride,
HY-15621A,
CS-7566,
|
| Complexity | 705 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 576.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 577.935g/mol |
| Monoisotopic Mass | 576.157g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number