Ladostigil
Basic information
- CAS
209394-27-4- Standard SMILES
C#CCN[C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21- InChIKey
LHXOCOHMBFOVJS-OAHLLOKOSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.15247789
Overview
Ladostigil is a member of indanes.
Names & identifiers
- Preferred name
- Ladostigil
- IUPAC
- [(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
- English name
- LADOSTIGIL
- Molecular formula
- C16H20N2O2
- Molecular weight
- 272.34
Names & synonyms
Ladostigil209394-27-4LadostigiloSW3H1USR4QTV-3326 FREE BASEDTXSID101045854ladostigilumRefChem:924477DTXCID301527785Ladostigil free baseLadostigil [INN][(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
Show more names
Ladostigil (TV-3,326)Ladostigil, 10 mM in DMSOLHXOCOHMBFOVJS-OAHLLOKOSA-NTV-3326|||Ladostigil|||TV 3326|||TV3326|||Ladostigil free baseCarbamic acid, N-ethyl-N-methyl-, (3R)-2,3-dihydro-3-(2-propyn-1-ylamino)-1H-inden-5-yl ester
TV3326(R)-3-(Prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl ethyl(methyl)carbamateR-CPAI(N-propargyl-(3R) aminoindan-5-yl)-ethyl methyl carbamate(3R)-3-(Prop-2-ynylamino)indan-5-yl ethyl(methyl)carbamate209349-27-4 (free base)UNII-SW3H1USR4QAminoindan deriv. (R)18b
Database identifiers
- CAS
209394-27-4- PubChem CID
- 208907
- DTXSID
DTXSID101045854- ChEMBL
CHEMBL255231- ChEBI
CHEBI:177484- UNII
- SW3H1USR4Q
- Nikkaji
- J1.441.441J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 412.4 · 412.4±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 6.94 · 6.94±0.20(Predicted)
- FDA UNII
- 3 H1USR4Q · SW3H1USR4Q
Chemistry & industry
Applications
UsesTreatment of Alzheimer’s disease (an inhibitor of monoamine oxidase (MAO-A and B), an acetylcholinesterase inhibitor, and a neuroprotectant).
Additional notes
DefinitionChEBI: Ladostigil is a member of indanes.
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Compound notes
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