Dalpiciclib isethionate
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid
Molecular Identity
Dalpiciclib isethionate
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid
PubChem CID: 132211171
2D Structure
Properties
C27H36N6O6S
Molecular Formula
572.70
Molecular Weight
g/mol
572.2417
Exact Mass
Da
183
TPSA
May have limited oral absorption
4
H-Bond Donors
11
H-Bond Acceptors
890
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCNCC4)C5CCCC5)C(=O)C.C(CS(=O)(=O)O)OIsomeric SMILES
SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCNCC4)C5CCCC5)C(=O)C.C(CS(=O)(=O)O)OSynonyms(11)
Dalpiciclib isethionateDalpiciclib isetionate24DCK9FQ92UNII-24DCK9FQ921980822-14-76-Acetyl-8-cyclopentyl-5-methyl-2-((5-(piperidin-4-yl)pyrid-2-yl)amino)pyrido(2,3-d)pyrimidine-7(8H)-one hydroxyethyl sulfonateRefChem:200349orb3173385SCHEMBL19691420SCHEMBL31633936Dalpiciclib isethionate [WHO-DD]
Data from PubChem (NCBI)
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