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Description: | α-Cyclopentylmandelic acid (CAS# 427-49-6) is an impurity of Glycopyrrolate (G657000), a novel pharmaceutical compound based on PDE IV inhibitors; used in the treatment of respiratory complaints. It is used in the synthesis of muscarinic M3 receptor antagonists. |
Molecular Weight: | 220.26 |
Molecular Formula: | C13H16O3 |
Canonical SMILES: | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O |
InChI: | InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15) |
InChI Key: | WFLUEQCOAQCQLP-UHFFFAOYSA-N |
Boiling Point: | 395.6 ℃ |
Melting Point: | 147 ℃ |
Purity: | 95 % |
Density: | 1.247 g/cm3 |
Appearance: | White to yellow crystalline powder |
LogP: | 2.14900 |
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