HOMATROPINE HYDROBROMIDE

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Synonyms
Status
Molecule Category Salt-form
UNII BEW7469QZ0
EPA CompTox DTXSID5045099

Structure

InChI Key DWSGTFTVBLXELC-RDYJJYPNSA-N
Smiles Br.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2
InChI
InChI=1S/C16H21NO3.BrH/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;1H/t12-,13+,14+,15?;

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22BrNO3
Molecular Weight 356.26
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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -3.08-5.53
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - -
Equus caballus
- - - - 5.53

Cross References

Resources Reference
ChEMBL CHEMBL1319362
FDA SRS BEW7469QZ0
SureChEMBL SCHEMBL41950
CONTENTS