Gevotroline
Basic information
- CAS
107266-06-8- Standard SMILES
Fc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3- InChIKey
RZXHTPCHKSYGIB-UHFFFAOYSA-N- Molecular formula
- C19H20FN3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.16412581
Overview
Gevotroline is a beta-carboline that is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole which is substituted by a 3-(pyridin-3-yl)propyl group at position 2 and a fluoro group at position 8. It has a role as a dopamine receptor D2 antagonist and an antipsychotic agent. It is a member of pyridines, a member of beta-carbolines and a member of monofluorobenzenes. It is a conjugate base of a gevotroline(1+).
Names & identifiers
- Preferred name
- Gevotroline
- IUPAC
- 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
- English name
- Gevotroline
- Molecular formula
- C19H20FN3
- Molecular weight
- 309.38
Names & synonyms
GEVOTROLINE107266-06-8GevotrolinaGevotrolinum7SZ6A2091QCHEBI:142391DTXSID001479891H-Pyrido(4,3-b)indole, 8-fluoro-2,3,4,5-tetrahydro-2-(3-(3-pyridinyl)propyl)-RefChem:922194DTXCID10704808-Fluoro-2,3,4,5-tetrahydro-2-(3-(3-pyridinyl)propyl)-1H-pyrido(4,3-b)indoleGevotroline [INN]
Show more names
8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indoleGevotrolinum [INN-Latin]8-fluoro-2-[3-(pyridin-3-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoleCHEMBL1743949WY 47384Gevotrolina [INN-Spanish]UNII-7SZ6A2091Q8-FLUORO-2,3,4,5-TETRAHYDRO-2-(3-(3-PYRIDYL)PROPYL)-1H-PYRIDO(4,3-B)INDOLE
Database identifiers
- CAS
107266-06-8- PubChem CID
- 60547
- DTXSID
DTXSID00147989- ChEMBL
CHEMBL51910- ChEBI
CHEBI:142391- UNII
- 7SZ6A2091Q
- Nikkaji
- J361.779C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 498 · 498.0±45.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 17.32 · 17.32±0.20(Predicted)
- FDA UNII
- 7 SZ6A2091Q · 7SZ6A2091Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAntipsychotic.
Additional notes
DefinitionChEBI: Gevotroline is a beta-carboline that is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole which is substituted by a 3-(pyridin-3-yl)propyl group at position 2 and a fluoro group at position 8. It has a role as an antipsychotic agent and a dopamine receptor D2 antagonist. It is a member of beta-carbolines, a member of monofluorobenzenes and a member of pyridines. It is a conjugate base of a gevotroline(1+).
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