Carmantadine
Basic information
- CAS
38081-67-3- Standard SMILES
O=C(O)C1CCN1C12CC3CC(CC(C3)C1)C2- InChIKey
VPBLOJFGPORKQA-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- Carmantadine
- IUPAC
- 1-(1-adamantyl)azetidine-2-carboxylic acid
- English name
- carmantadine
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
CARMANTADINE38081-67-3Sch 154271-(1-adamantyl)azetidine-2-carboxylic acid1-(1-Adamantyl)-2-azetidinecarboxylic acidSCH-15427NSC-1726186EK3N87MMHCarmantadinoCarmantadinum2-Azetidinecarboxylic acid, 1-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-Carmantadinum [INN-Latin]
Show more names
1-adamantan-1-yl-azetidine-2-carboxylic acid
Carmantadine [USAN:INN]UNII-6EK3N87MMHCarmantadino [INN-Spanish]CarmantadinaEINECS 253-774-9Carmantadine (USAN/INN)CARMANTADINE [INN]CARMANTADINE [USAN]
Database identifiers
- CAS
38081-67-3- PubChem CID
- 37906
- DTXSID
DTXSID00865898- ChEMBL
CHEMBL2106463- UNII
- 6EK3N87MMH
- EC Number
- 253-774-9
- Nikkaji
- J19.422K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 371.287 · 371.287±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.323 · 2.323±0.20(predicted)
- FDA UNII
- 6 EK3N87MMH · 6EK3N87MMH
Chemistry & industry
Applications
UsesAntiparkinsonian.
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Related reactions
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Compound notes
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