| CAS Number | 1431697-96-9 |
| Catalog Number | AG009CAC |
| Chemical Name | CCT 241533 hydrochloride |
| IUPAC Name | 4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxyquinazolin-2-yl]phenol;hydrochloride |
| InChI | InChI=1S/C23H27FN4O4.ClH/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29;/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28);1H/t15-,17-;/m1./s1 |
| InChI Key | LAKJUTZIXHTMPC-SSPJITILSA-N |
| MDL Number | MFCD23380595 |
| Molecular Formula | C23H28ClFN4O4 |
| Molecular Weight | 478.9442 |
| SMILES | Cl.FC1=CC(=C(C=C1)O)C1=NC2=CC(=C(C=C2C(=N1)N[C@H]1CNC[C@@H]1C(C)(C)O)OC)OC |
| Synonyms | CCT241533 (hydrochloride),
CCT241533 hydrochloride,
1431697-96-9,
C23H27FN4O4.ClH,
3288AH,
HY-14715B,
AKOS030526529,
CS-1137,
W-6018,
CCT-241533 hydrochloride;CCT 241533 hydrochloride,
4-Fluoro-2-(4-(((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl)amino)-6,7-dimethoxyquinazolin-2-yl)phenol hydrochloride,
A3292,
A15038,
|
| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 478.949g/mol |
| Monoisotopic Mass | 478.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number