| CAS Number | 155815-98-8 |
| Catalog Number | AG01ENZC(AGN-PC-3H464J) |
| Chemical Name | Hoechst 33342 analog 2 trihydrochloride |
| IUPAC Name | 2-iodo-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol;trihydrochloride |
| InChI | InChI=1S/C25H23IN6O.3ClH/c1-31-8-10-32(11-9-31)17-4-6-20-22(14-17)30-25(28-20)16-2-5-19-21(13-16)29-24(27-19)15-3-7-23(33)18(26)12-15;;;/h2-7,12-14,33H,8-11H2,1H3,(H,27,29)(H,28,30);3*1H |
| InChI Key | UMBXUMFHPPBTSO-UHFFFAOYSA-N |
| MDL Number | MFCD31544360 |
| Molecular Formula | C25H26Cl3IN6O |
| Molecular Weight | 659.7770 |
| SMILES | C1(O)=CC=C(C2NC3=CC=C(C4NC5=CC=C(N6CCN(C)CC6)C=C5N=4)C=C3N=2)C=C1I.[H]Cl.[H]Cl.[H]Cl |
| Synonyms | Hoechst 33342 analog 2 (trihydrochloride),
155815-98-8,
Hoechst 33342 analog 2 trihydrochloride,
HY-15630A,
CS-7569,
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| Complexity | 677 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 658.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 659.778g/mol |
| Monoisotopic Mass | 658.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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