Vedaclidine tartrate
Basic information
- CAS
141575-51-1- Standard SMILES
CCCCSc1nsnc1[C@@H]1CN2CCC1CC2.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
KLWOCMMRVISIQR-VUAFVNRWSA-N- Molecular formula
- C17H27N3O6S2
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.13412794
Names & identifiers
- Preferred name
- Vedaclidine tartrate
- IUPAC
- 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-butylsulfanyl-1,2,5-thiadiazole;(2R,3R)-2,3-dihydroxybutanedioic acid
- English name
- 1-Azabicyclo[2.2.2]octane, 3-[4-(butylthio)-1,2,5-thiadiazol-3-yl]-, (S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (9CI)
- Molecular formula
- C13H21N3S2.C4H6O6
- Molecular weight
- 433.55
Names & synonyms
Vedaclidine tartrate141575-51-1Ly297802 tartrateLy-297802 tartrateUNII-099J5LTJ25099J5LTJ25(S)-3-(4-(Butylthio)-1,2,5-thiadiazol-3-yl)quinuclidine tartrateDTXSID20161763RefChem:193887DTXCID2084254(+)-3-(3-(BUTYLTHIO)-1,2,5-THIADIAZOL-4-YL)-1-AZABICYCLO(2.2.2)OCTANE MONOHYDROGENTARTRATE(+)-3-(3- (Butylthio)-1,2,5-thiadiazol-4-yl)-1-azabicyclo(2.2.2)octane monohydrogentartrate
Show more names
1-Azabicyclo[2.2.2]octane, 3-[4-(butylthio)-1,2,5-thiadiazol-3-yl]-, (S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (9CI)
3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-butylsulfanyl-1,2,5-thiadiazole;(2R,3R)-2,3-dihydroxybutanedioic acidorb1699017AKOS040749747T29102Q27236473(2R,3R)-2,3-Dihydroxybutanedioic acid--(3S)-3-[4-(butylsulfanyl)-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane (1/1)
Database identifiers
- CAS
141575-51-1- PubChem CID
- 9889092
- DTXSID
DTXSID20161763- UNII
- 099J5LTJ25
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- FDA UNII
- 99 J5LTJ25 · 099J5LTJ25
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Compound notes
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