PENTOLINIUM TARTRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 953357GACY

Structure
InChI Key HSMKTIKKPMTUQH-WBPXWQEISA-L
Smile C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O
InChI
InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H42N2O12
Molecular Weight 538.59
AlogP 2.64
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neuronal acetylcholine receptor; alpha3/beta4 antagonist PubMed
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
- - - - 117

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 55326
ChEMBL CHEMBL1318287
FDA SRS 953357GACY
PubChem 5849
SureChEMBL SCHEMBL309647
CONTENTS