Avn-101

HCID 42631003

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Basic information

CAS: 1025725-91-0
Standard SMILES: Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1
InChIKey: IBUHDDLETPJVGP-UHFFFAOYSA-N
Molecular formula: C21H24N2
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.19394877

Names & identifiers

Preferred name: Avn-101
IUPAC: 2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
English name: AVN-101
Molecular formula: C21H24N2
Molecular weight: 304.43

Names & synonyms

1025725-91-0AVN-101AVN-101 free base6MHR5IV28SUNII-6MHR5IV28S2,3,4,5-Tetrahydro-2,8-dimethyl-5-phenethyl-1H-pyrido(4,3-b)indole1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-phenylethyl)-2,3,4,5-Tetrahydro-2,8-dimethyl-5-(2-phenylethyl)-1H-pyrido(4,3-b)indole2,3,4,5-tetrahydro-2,8-dimethyl-5-phenethyl-1H-pyrido[4,3-b]indoleRefChem:115795Maritupirdine2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Show more names

AVN-101 (AVN101)1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-phenylethyl)-

AVN-101 freeCHEMBL5927522,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole2,8-dimethyl-5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoleMaritupirdinamaritupirdine [INN]orb1737887SCHEMBL3717876

Database identifiers

CAS: 1025725-91-0
PubChem CID: 42631003
DTXSID: DTXSID901032403
ChEMBL: CHEMBL592752
UNII: 6MHR5IV28S

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 8.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 389

Physicochemical properties

Boiling point: 480.3 · 480.3±33.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
pka: 9.09 · 9.09±0.20(Predicted)
FDA UNII: 6 MHR5IV28S · 6MHR5IV28S

Chemistry & industry

Applications · 1 item

UsesAVN-101 free base is a multi-target drug candidate with the potential to inhibit central nervous system (CNS) diseases. AVN-101 free base exhibits high inhibitory activity on 5-HT7 receptors and also has certain activity on 5-HT6, 5-HT2A and 5-HT2C receptors. Due to its anxiolytic and antidepressant activities, AVN-101 free base is also expected to be used in diseases such as general anxiety disorder, depression, schizophrenia and multiple sclerosis[1].