| CAS Number | 1620278-72-9 |
| Catalog Number | AG003ANY(AGN-PC-0WGGP3) |
| Chemical Name | TLR7/8 agonist 1 2HCl |
| IUPAC Name | 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;dihydrochloride |
| InChI | InChI=1S/C22H25N5.2ClH/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16;;/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25);2*1H |
| InChI Key | YKZCFKIAMHQQAW-UHFFFAOYSA-N |
| MDL Number | MFCD31657341 |
| Molecular Formula | C22H27Cl2N5 |
| Molecular Weight | 432.3893 |
| SMILES | Cl.Cl.NCC1=CC=C(CN2C(=NC=3C(=NC=4C=CC=CC4C32)N)CCCC)C=C1 |
| Synonyms | TLR7/8 agonist 1 (dihydrochloride),
SCHEMBL15881955,
HY-103698A,
CS-0032947,
1-(4-(Aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c]quinolin-4-amine dihydrochloride,
1620278-72-9,
|
| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.393g/mol |
| Monoisotopic Mass | 431.164g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number