| CAS Number | 2002381-31-7 |
| Catalog Number | AG01ENF9(AGN-PC-3H45KK) |
| Chemical Name | APS-2-79 |
| IUPAC Name | 6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine;hydrochloride |
| InChI | InChI=1S/C23H21N3O3.ClH/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23;/h4-14H,1-3H3,(H,24,25,26);1H |
| InChI Key | LIXKSHWZJNNZHG-UHFFFAOYSA-N |
| MDL Number | MFCD30536203 |
| Molecular Formula | C23H22ClN3O3 |
| Molecular Weight | 423.8921 |
| SMILES | COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1C)Oc1ccccc1.Cl |
| Synonyms | APS-2-79 hydrochloride,
2002381-31-7,
APS-2-79 HCl,
APS-2-79 (hydrochloride),
6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl)quinazolin-4-amine hydrochloride,
APS279 hydrochloride,
SCHEMBL18153640,
BCP23567,
EX-A2469,
s8355,
CS-6151,
HY-100627A,
AK685587,
APS-2-79 hydrochloride, >=98% (HPLC),
APS-2-79,
A16175,
2002381-25-9,
|
| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 423.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.897g/mol |
| Monoisotopic Mass | 423.135g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.5A^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