SANFETRINEM

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0S36458I44

Structure

InChI Key ICFDDEJRXZSWTA-KJFVXYAMSA-N
Smiles CO[C@H]1CCC[C@@H]2[C@@H]3[C@@H]([C@@H](C)O)C(=O)N3C(=C12)C(O)=O
InChI
InChI=1S/C14H19NO5/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17/h6-9,11,16H,3-5H2,1-2H3,(H,18,19)/t6-,7+,8+,9-,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N1O5
Molecular Weight 281.13
AlogP 0.36
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 87.07
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 156769-21-0
NORMAN SUSDAT
FDA SRS 0S36458I44
CONTENTS