Timiperone-[d4] (Major) (Contain d0)

General Information
Catalog: BLP-007449
CAS: 1185042-00-5
Molecular Formula: C22H20D4FN3OS
Molecular Weight: 401.53
Related CAS: 57648-21-2 (unlabelled)
Description Timiperone-[d4] (Major) (Contain d0) is a labelled compound of Timiperone. Timiperone is a butyrophenone derivative having neuroleptic activity, used as an antipsychotic.
Synonyms 4-[4-(2,3-Dihydro-2-thioxo-1H-(benzimidazol-d4)-1-yl)-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone; 1-[1-[3-(4-Fluorobenzoyl)propyl]-4-piperidyl]-2-mercaptobenzimidazole-d4
IUPAC Name 1-(4-fluorophenyl)-4-[4-(4,5,6,7-tetradeuterio-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one
Canonical SMILES C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
InChI InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)/i1D,2D,4D,5D
InChI Key YDLQKLWVKKFPII-GYABSUSNSA-N
Melting Point 198-200°C
Appearance Off-white Solid
Storage Store at -20°C

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