TROPAPRIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5ZFB9Y7BH0

Structure

InChI Key PCIWCYUKRZFCMF-YQQQUEKLSA-N
Smiles COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1OC
InChI
InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)/t17?,18-,19+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28N2O3
Molecular Weight 380.21
AlogP 4.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 54.29
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 76352-13-1
NORMAN SUSDAT
FDA SRS 5ZFB9Y7BH0
CONTENTS