Deulumateperone
4-[(10R,15S)-3,3-dideuterio-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]-1-(4-fluorophenyl)butan-1-one
Molecular Identity
Deulumateperone
4-[(10R,15S)-3,3-dideuterio-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID: 140916642
2D Structure
Properties
C24H28FN3O
Molecular Formula
395.50
Molecular Weight
g/mol
395.2342
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
26.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
593
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN2C3CCN(CC3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)FIsomeric SMILES
SMILES: [2H]C1(CN2[C@H]3CCN(C[C@H]3C4=C2C(=CC=C4)N1C)CCCC(=O)C5=CC=C(C=C5)F)[2H]Synonyms(13)
2102683-75-8Deulumateperonedeulumateperone [INN]NBA7J58PPPDeulumateperone (USAN/INN)DEULUMATEPERONE [USAN]DIDEUTERATED LUMATEPERONEITI-15ITI-1284D132681-(4-Fluorophenyl)-4-[(6bR,10aS)-2,3,6b,9,10,10a-hexahydro-2-d-3-methyl-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl-2-d]-1-butanone1-Butanone, 1-(4-fluorophenyl)-4-[(6bR,10aS)-2,3,6b,9,10,10a-hexahydro-2-d-3-methyl-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl-2-d]-4-[(10R,15S)-3,3-dideuterio-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]-1-(4-fluorophenyl)butan-1-one
Data from PubChem (NCBI)
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