DIFEMERINE

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Synonyms:	Difemerine
Status:	Approved
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	A03AA09
UNII:	843C4UPZ2F

Structure


InChI Key	WJIZVQNUJVMJAZ-UHFFFAOYSA-N
Smile	CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C20H25NO3/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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H25NO3
Molecular Weight	327.42
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

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference

Cross References

Resources	Reference
ChEBI	135397
ChEMBL	CHEMBL3304486
DrugCentral	877
FDA SRS	843C4UPZ2F
PubChem	165124
SureChEMBL	SCHEMBL24130
ZINC	ZINC000044710394

CONTENTS