SORNIDIPINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z82YP691V7

Structure

InChI Key BDWDGSRGKFAKMD-CJGXRZRVSA-N
Smiles COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)O[C@@H]3CO[C@@H]4[C@@H](O)CO[C@H]34)C
InChI
InChI=1S/C22H24N2O9/c1-10-16(21(26)30-3)18(12-6-4-5-7-13(12)24(28)29)17(11(2)23-10)22(27)33-15-9-32-19-14(25)8-31-20(15)19/h4-7,14-16,18-20,25H,8-9H2,1-3H3/t14-,15+,16?,18?,19+,20+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N2O9
Molecular Weight 460.15
AlogP 1.29
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 146.79
Heavy Atoms 33.0

Cross References

Resources Reference
CAS NUMBER 95105-77-4
NORMAN SUSDAT
FDA SRS Z82YP691V7
CONTENTS