HOMATROPINE

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Synonyms
Status
Molecule Category Free-form
ATC S01FA05
UNII 8QS6WCL55Z
EPA CompTox DTXSID6044014

Structure

InChI Key ZTVIKZXZYLEVOL-MCOXGKPRSA-N
Smiles CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2
InChI
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21NO3
Molecular Weight 275.35
AlogP 1.89
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Related Entries

Cross References

Resources Reference
ChEBI 5747
ChEMBL CHEMBL1618018
DrugBank DB11181
DrugCentral 1379
FDA SRS 8QS6WCL55Z
KEGG C07814
SureChEMBL SCHEMBL23969
CONTENTS