| CAS Number | 2108833-51-6 |
| Catalog Number | AG01FPOT(AGN-PC-3H5P20) |
| Chemical Name | (S)-1-(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-N3-(7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-1,2,4-triazole-3,5-diamine hydrochloride |
| IUPAC Name | 1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-triazole-3,5-diamine;dihydrochloride |
| InChI | InChI=1S/C30H34N8.2ClH/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27;;/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36);2*1H |
| InChI Key | KNUMGBTVVFIGFU-UHFFFAOYSA-N |
| MDL Number | MFCD30179981 |
| Molecular Formula | C30H35ClN8 |
| Molecular Weight | 543.1055 |
| SMILES | NC=1N(C=2C=C3C(C=4C(CCC3)=CC=CC4)=NN2)N=C(NC=5C=C6C(=CC5)CC[C@@H](CC6)N7CCCC7)N1.Cl |
| Synonyms | BGB324 Dihydrochloride,
2108833-51-6,
|
| Complexity | 775 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 578.243999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 579.6g/mol |
| Monoisotopic Mass | 578.243999g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number