brolamfetamine   Click here for help

GtoPdb Ligand ID: 163

Abbreviated name: DOB
Synonyms: 2,5-dimethoxy-4-bromoamphetamine
Compound class: Synthetic organic
Comment: The INN-assigned compound brolamfetamine is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.48
Molecular weight 273.04
XLogP 2.39
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(Br)c(cc1CC(N)C)OC
Isomeric SMILES COc1cc(Br)c(cc1CC(N)C)OC
InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5874 brolamfetamine
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand brolamfetamine
Other databases
CAS Registry No. 64638-07-9 (source: Scifinder)
ChEMBL Ligand CHEMBL6607
DrugBank Ligand DB01484
GtoPdb PubChem SID 135650198
PubChem CID 62065
Search Google for chemical match using the InChIKey FXMWUTGUCAKGQL-UHFFFAOYSA-N
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Search PubMed clinical trials brolamfetamine
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Search PubMed titles/abstracts brolamfetamine
UniChem Compound Search for chemical match using the InChIKey FXMWUTGUCAKGQL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FXMWUTGUCAKGQL-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-bromoamphetamine