XYLOXEMINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L95KV83PV9

Structure

InChI Key KLOZENAJUCRQKD-UHFFFAOYSA-N
Smiles CN(C)CCOCCOC(c1c(C)cccc1C)c2c(C)cccc2C
InChI
InChI=1S/C23H33NO2/c1-17-9-7-10-18(2)21(17)23(22-19(3)11-8-12-20(22)4)26-16-15-25-14-13-24(5)6/h7-12,23H,13-16H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H33N1O2
Molecular Weight 355.25
AlogP 4.6
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 21.7
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 1600-19-7
NORMAN SUSDAT
FDA SRS L95KV83PV9
CONTENTS