carbachol   Click here for help

GtoPdb Ligand ID: 298

Synonyms: Carbastat® | Carboptic®
Approved drug PDB Ligand
carbachol is an approved drug (FDA (1972))
Compound class: Synthetic organic
Comment: Carbachol is a cholinergic agonist acting at both muscarinic and nicotinic receptors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 52.32
Molecular weight 147.11
XLogP -0.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)OCC[N+](C)(C)C
Isomeric SMILES NC(=O)OCC[N+](C)(C)C
InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
InChI Key VPJXQGSRWJZDOB-UHFFFAOYSA-O
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1972))
IUPAC Name Click here for help
2-carbamoyloxyethyl-trimethylazanium
International Nonproprietary Names Click here for help
INN number INN
383 carbachol
Synonyms Click here for help
Carbastat® | Carboptic®
Database Links Click here for help
BindingDB Ligand 50014555
CAS Registry No. 51-83-2
ChEMBL Ligand CHEMBL965
DrugBank Ligand DB00411
DrugCentral Ligand 488
GtoPdb PubChem SID 135650055
PubChem CID 2551
RCSB PDB Ligand CCE
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Wikipedia Carbachol