124433-70-1 Purity
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Specification
The molecular formula is C22H26ClNO4.
The molecular weight is 403.9 g/mol.
Some synonyms include Pitofenone hydrochloride, PITOFENONE HCL, and Pitophenone hydrochloride.
The IUPAC name is methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride.
The InChIKey is ZRFIFDFEDPJBII-UHFFFAOYSA-N.
The Canonical SMILES representation is COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl.
The CAS number is 1248-42-6.
There are 5 hydrogen bond acceptors.
The topological polar surface area is 55.8 Ų.
Yes, it is a canonicalized compound.