DIFEMERINE HYDROCHLORIDE

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Synonyms:	Difemerine hcl Difemerine hydrochloride Luostyl
Status:	Approved
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	00JM91Q28F

Structure


InChI Key	QRHDDSUGMIAILK-UHFFFAOYSA-N
Smile	CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl
InChI	InChI=1S/C20H25NO3.ClH/c1-19(2,15-21(3)4)24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,23H,15H2,1-4H3;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H26ClNO3
Molecular Weight	363.89
AlogP	2.81
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	49.77
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	24.0

Cross References

Resources	Reference
ChEMBL	CHEMBL3301670
FDA SRS	00JM91Q28F
PubChem	3085423
SureChEMBL	SCHEMBL2257209

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