| CAS Number | 1049743-58-9 |
| Catalog Number | AG01ENO7(AGN-PC-3H460P) |
| Chemical Name | N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamidedihydrochloride |
| IUPAC Name | N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide;dihydrochloride |
| InChI | InChI=1S/C17H11ClN4O.2ClH/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10;;/h1-9,21H,(H,22,23);2*1H |
| InChI Key | QTDCBADLGJZBHP-UHFFFAOYSA-N |
| MDL Number | MFCD08705411 |
| Molecular Formula | C17H13Cl3N4O |
| Molecular Weight | 395.6703 |
| SMILES | Cl.Cl.ClC=1C=C2C3=C(NC2=C(C1)NC(=O)C=1C=NC=CC1)C=NC=C3 |
| Synonyms | PS-1145 dihydrochloride,
PS 1145 dihydrochloride,
1049743-58-9,
PS 1145 2HCl,
N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide dihydrochloride,
SCHEMBL12471533,
MFCD08705411,
AKOS024458229,
RT-015144,
PS-1145 dihydrochloride, >=98% (HPLC), solid,
N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamidedihydrochloride,
PS-1145,
431898-65-6,
|
| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.668g/mol |
| Monoisotopic Mass | 394.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number