SINTROPIUM

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3N9B1PL5QG

Structure

InChI Key NCCCVLZKNQKUCJ-ZVBHREPYSA-N
Smiles [Br-].CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C(C)C
InChI
InChI=1S/C19H36NO2/c1-6-8-15(9-7-2)19(21)22-18-12-16-10-11-17(13-18)20(16,5)14(3)4/h14-18H,6-13H2,1-5H3/q+1/t16-,17+,18?,20?

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H36N1O2
Molecular Weight 310.27
AlogP 4.29
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 26.3
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 79467-19-9
NORMAN SUSDAT
FDA SRS 3N9B1PL5QG
CONTENTS