(DIHYDRO-3,3-DIPHENYL-3H-FURAN-2-YLIDENE)DIMETHYLAMMONIUM BROMIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID80958777

Structure

InChI Key QJPXLCQSAFQCBD-UHFFFAOYSA-M
Smiles [Br-].O1C(=[N+](C)C)C(C=2C=CC=CC2)(C=3C=CC=CC3)CC1
InChI
InChI=1/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20NO
Molecular Weight 345.07
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 14.54
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 37743-18-3
NORMAN SUSDAT
PubChem 2723589
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