ISOXSUPRINE

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Synonyms
Status
Molecule Category Free-form
ATC C04AA01
UNII R15UI3245N
EPA CompTox DTXSID9023178

Structure

InChI Key BMUKKTUHUDJSNZ-UHFFFAOYSA-N
Smiles CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
InChI
InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23NO3
Molecular Weight 301.39
AlogP 2.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 61.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Related Entries

Cross References

Resources Reference
ChEBI 91855
ChEMBL CHEMBL1197051
DrugCentral 1510
FDA SRS R15UI3245N
PubChem 11779629
SureChEMBL SCHEMBL181079
CONTENTS