HOMATROPINE METHYLBROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
ATC A03BB06
UNII 68JRS2HC1C
EPA CompTox DTXSID4023127

Structure

InChI Key FUFVKLQESJNNAN-RIMUKSHESA-M
Smiles C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2.[Br-]
InChI
InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+,16?;

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24BrNO3
Molecular Weight 370.29
AlogP 2.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 73.94-77.55
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 73.94-77.55

Cross References

Resources Reference
ChEMBL CHEMBL1200851
FDA SRS 68JRS2HC1C
SureChEMBL SCHEMBL20659943
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