BEPHENIUM HYDROXYNAPHTHOATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 47RU9546DX

Structure
InChI Key PMPQCPQAHTXCDK-UHFFFAOYSA-M
Smile C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O
InChI
InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H29NO4
Molecular Weight 443.54
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1673148
EPA CompTox DTXSID8022662
FDA SRS 47RU9546DX
PubChem 54678490
SureChEMBL SCHEMBL466996
CONTENTS