Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H21N3S2.C4H6O6 |
| Molecular Weight | 433.543 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCCCSC1=NSN=C1[C@@H]2CN3CCC2CC3
InChI
InChIKey=KLWOCMMRVISIQR-VUAFVNRWSA-N
InChI=1S/C13H21N3S2.C4H6O6/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16;5-1(3(7)8)2(6)4(9)10/h10-11H,2-9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m11/s1
| Molecular Formula | C13H21N3S2 |
| Molecular Weight | 283.456 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Vedaclidine [LY 297802, NNC 101053, NNC 111053, butylthio[2.2.2]], a quinuclidine, is a muscarinic receptor agonist being developed by Novo Nordisk and Eli Lilly as an analgesic drug. Vedaclidine is a muscarinic receptor ligand which is equiefficacious to morphine in producing antinociception. In vitro, Vedaclidine had high affinity for muscarinic receptors in brain homogenates, but had substantially less or no affinity for several other neurotransmiter receptors and uptake sites. Its pharmacological profile suggests that it may have clinical utility in the management of pain as an alternative to opioids.
Originator
Approval Year
Sample Use Guides
In isolated tissues, Vedaclidine was an agonist with high affinity for M1 receptors in the rabbit vas deferens (IC50 = 0.33 nM), but it was an antagonist at M2 receptors in guinea pig atria (pA2 = 6.9) and at M3 receptors in guinea pig urinary bladder (pA2 = 7.4) and a weak partial agonist in guinea pig ileum, which contains a heterogeneous population of muscarinic receptors.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:53:21 GMT 2023
by
admin
on
Fri Dec 15 15:53:21 GMT 2023
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| Record UNII |
099J5LTJ25
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| Record Status |
Validated (UNII)
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| Record Version |
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DTXSID20161763
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9889092
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141575-51-1
Created by
admin on Fri Dec 15 15:53:21 GMT 2023 , Edited by admin on Fri Dec 15 15:53:21 GMT 2023
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