NAMOXYRATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 38IDB6L05D

Structure

InChI Key AFBOOLAXBCHCNG-UHFFFAOYSA-N
Smiles CC(CCc1ccc(cc1)c2ccccc2)C(O)=O.CN(C)CCO
InChI
InChI=1S/C17H18O2/c1-13(17(18)19)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18O2
Molecular Weight 254.13
AlogP 4.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 37.3
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 1234-71-5
NORMAN SUSDAT
FDA SRS 38IDB6L05D
CONTENTS