| Catalog Number | ACM827022333 |
| CAS | 827022-33-3 |
| IUPAC Name | 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid |
| Synonyms | Palbociclib Isethionate;827022-33-3;PD0332991 Isethionate;PD 0332991 isethionate;UNII-W1NYL2IRDR;Palbociclib (PD0332991) Isethionate;W1NYL2IRDR;Palbociclib (isethionate);827022-33-3 (isethionate);6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one 2-hydroxyethanesulfonate;Palbociclib Isethionate [USAN];PD 0332991-0054;PF-00080665-73;6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one 2-hydroxyethane-1-sulfonate;Palbociclib isethionate (USAN);C24H29N7O2.C2H6O4S;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid;Palbociclib isethiolate;MLS006011191;SYN1180A;CHEMBL2364621;SCHEMBL19615412;AMY1855;DTXSID60231974;AOB87359;BCP09567;HY-A0065;2627AH;MFCD22666589;s1579;AKOS024458348;CCG-270106;SB17314;PD 0332991 (Palbociclib) Isethionate;AC-30140;AK174924;AS-16316;SMR004702960;DB-119974;FT-0697063;D10652;PD 0332991 isethionate, >=98% (HPLC);PF-0008066573;PD-0332991-0054;PD-03329910054;827022-33-3, 571190-30-2(free base);Q27292194;6-acetyl-8-cyclopentyl-5-methyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one 2-hydroxyethanesulfonate;6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one isethionate salt |
| Molecular Weight | 573.7g/mol |
| Molecular Formula | C26H35N7O6S |
| Canonical SMILES | CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.C(CS(=O)(=O)O)O |
| InChI | InChI=1S/C24H29N7O2.C2H6O4S/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;3-1-2-7(4,5)6/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);3H,1-2H2,(H,4,5,6) |
| InChI Key | LYYVFHRFIJKPOV-UHFFFAOYSA-N |
| Purity | 99.99% |
| Complexity | 892 |
| Covalently-Bonded Unit Count | 2 |
| Exact Mass | 573.23695304g/mol |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 12 |
| Monoisotopic Mass | 573.23695304g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 186Ų |
| UNII | W1NYL2IRDR |