| CAS Number | 848217-00-5 |
| Catalog Number | AG01FHH8(AGN-PC-0UUC8W) |
| Chemical Name | H4 Receptor antagonist 1 |
| IUPAC Name | 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine |
| InChI | InChI=1S/C16H17ClN4O/c1-10-18-14-12-9-11(17)3-4-13(12)22-15(14)16(19-10)21-7-5-20(2)6-8-21/h3-4,9H,5-8H2,1-2H3 |
| InChI Key | GUJLUPNSRRNJKP-UHFFFAOYSA-N |
| MDL Number | MFCD04189244 |
| Molecular Formula | C16H17ClN4O |
| Molecular Weight | 316.7854 |
| SMILES | C1(C)=NC(N2CCN(C)CC2)=C2OC3=CC=C(Cl)C=C3C2=N1 |
| Synonyms | H4 Receptor antagonist 1,
CHEMBL1091558,
848217-00-5,
AC1N0AUW,
SCHEMBL603693,
ZINC5218771,
BDBM50315339,
STK584269,
AKOS005507317,
MCULE-3831397436,
HY-114025,
CS-0064897,
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)[1]benzofuro[3,2-d]pyrimidine,
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d]pyrimidine,
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine,
C16H17ClN4O,
CID3934857,
CID 3934857,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.789g/mol |
| Monoisotopic Mass | 316.109g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number