HOMATROPINE HYDROBROMIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BEW7469QZ0

Structure
InChI Key DWSGTFTVBLXELC-RDYJJYPNSA-N
Smile 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
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1319362
EPA CompTox DTXSID5045099
FDA SRS BEW7469QZ0
SureChEMBL SCHEMBL41950
CONTENTS