Basic information
- CAS
105138-32-7- Standard SMILES
CN1CCN2c3cc(F)ccc3C(c3cccs3)=NCC2C1- InChIKey
ICHHTOMWWAMJQP-UHFFFAOYSA-N- Molecular formula
- C17H18FN3S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.12054692
Names & identifiers
- Preferred name
- Timelotem
- IUPAC
- 10-fluoro-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
- English name
- Timelotem
- Molecular formula
- C17H18FN3S
- Molecular weight
- 315.41
Names & synonyms
TimelotemTimelotemum96306-34-2090DE9CRP1RefChem:93307610-fluoro-1,2,3,4,4a,5-hexahydro-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepineTimelotem [INN]Timelotem, (-)-FW973BEK25Timelotem, (+)-9B2BQO7LILUNII-FW973BEK25
Show more names
Pyrazino[1,2-a][1,4]benzodiazepine, 10-fluoro-1,2,3,4,4a,5-hexahydro-3-methyl-7-(2-thienyl)-(+-)-10-Fluoro-1,2,3,4,4A,5-hexahydro-3-methyl-7-(2-thienyl)pyrazino(1,2-A)(1,4)benzodiazepinePyrasino(1,2-A)(1,4)benzodiazepine, 10-fluoro-1,2,3,4,4A,5-hexahydro-3-methyl-7-(2-thienyl)-, (+-)-
120106-98-1Pyrazino(1,2-a)(1,4)benzodiazepine, 10-fluoro-1,2,3,4,4a,5-hexahydro-3-methyl-7-(2-thienyl)-, (-)-120106-97-0Pyrazino(1,2-a)(1,4)benzodiazepine, 10-fluoro-1,2,3,4,4a,5-hexahydro-3-methyl-7-(2-thienyl)-, (+)-Timelotemum [Latin]UNII-090DE9CRP1UNII-9B2BQO7LIL1,2,3,4,4a,5-Hexahydro-10-fluoro-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine
Database identifiers
- CAS
105138-32-7、120106-97-0、120106-98-1、96306-34-2- PubChem CID
- 65844
- DTXSID
DTXSID90869269- ChEMBL
CHEMBL2107470- UNII
- 090DE9CRP1、9B2BQO7LIL、FW973BEK25
- Nikkaji
- J927.420K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 128 · 128-129 °C(Solv: ethanol (64-17-5))
- Boiling point
- 429.8 · 429.8±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 8.14 · 8.14±0.40(Predicted)
- FDA UNII
- 90 DE9CRP1 · 090DE9CRP1
Chemistry & industry
Applications
UsesTimelotem (KC-7507 free base) is a representative of a class of 1, 2-cyclo1, 4-benzodiazepines. Timelotem shows significant antipsychotic properties. Timelotem produces sedative, anti-anxiety and anti-convulsant effects by enhancing the action of the neurotransmitter gamma-aminobutyric acid (GABA). Timelotem can be used in studies of schizophrenia and other mental disorders[1].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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