Basic information
- CAS
52618-67-4- Standard SMILES
CCCSc1ccccc1N1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1- InChIKey
CDNFCUXEJDEBEX-UHFFFAOYSA-N- Molecular formula
- C25H32N4O2S
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.22459745
Overview
Tioperidone is a small molecule drug. Tioperidone has a monoisotopic molecular weight of 452.22 Da.
Names & identifiers
- Preferred name
- Tioperidone
- IUPAC
- 3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione
- English name
- Tioperidone
- Molecular formula
- C25H32N4O2S
- Molecular weight
- 452.61
Names & synonyms
TioperidoneTioperidone [INN]52618-67-4UNII-K1R21LCQ57K1R21LCQ573-(4-(4-(O-(PROPYLTHIO)PHENYL)-1-PIPERAZINYL)BUTYL)-2,4(1H,3H)-QUINAZOLINEDIONERefChem:1900903-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dioneTioperidonaorb2815558CHEMBL2111010SCHEMBL29385311
Show more names
3-[4-[4-[2-(Propylthio)phenyl]-1-piperazinyl]butyl]-2,4(1H,3H)-quinazolinedione2,4(1H,3H)-Quinazolinedione, 3-[4-[4-[2-(propylthio)phenyl]-1-piperazinyl]butyl]-
DTXSID308662723-(4-{4-[2-(propylsulfanyl)phenyl]piperazin-1-yl}butyl)quinazoline-2,4(1h,3h)-dioneT202148Q27281830
Database identifiers
- CAS
52618-67-4- PubChem CID
- 40460
- DTXSID
DTXSID30866272- ChEMBL
CHEMBL2111010- UNII
- K1R21LCQ57
- Nikkaji
- J9.968F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- FDA UNII
- 1 R21LCQ57 · K1R21LCQ57
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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