TEBANICLINE TOSYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CP1A26546Z

Structure
InChI Key JCPWIGCGJUGLJQ-OGFXRTJISA-N
Smile Cc1ccc(S(=O)(=O)O)cc1.Clc1ccc(OC[C@H]2CCN2)cn1
InChI
InChI=1S/C9H11ClN2O.C7H8O3S/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,7,11H,3-4,6H2;2-5H,1H3,(H,8,9,10)/t7-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19ClN2O4S
Molecular Weight 370.86
AlogP 1.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 34.15
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Neuronal acetylcholine receptor; alpha4/beta2 agonist PubMed

Cross References

Resources Reference
ChEMBL CHEMBL2104964
FDA SRS CP1A26546Z
PubChem 9907432
SureChEMBL SCHEMBL7417623
CONTENTS