reserpine

Ligand id: 4823

Name: reserpine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 117.78
Molecular weight 608.27
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1955))
IUPAC Name
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
International Nonproprietary Names
INN number INN
282 reserpine
Synonyms
Serpalan®
Database Links
CAS Registry No. 50-55-5 (source: Scifinder)
ChEMBL Ligand CHEMBL772
DrugBank Ligand DB00206
PubChem CID 5770
Search Google for chemical match using the InChIKey QEVHRUUCFGRFIF-MDEJGZGSSA-N
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Wikipedia Reserpine
Comments
Reserpine irreversibly blocks the vesicular monoamine transporter (VMAT; gene symbols SLC18A1 and SLC18A2), to bring about depletion of monoamine neurotransmitters at synapses.