Basic information
- CAS
214548-46-6- Standard SMILES
Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1- InChIKey
ZYXHQIPQIKTEDI-UHFFFAOYSA-N- Molecular formula
- C22H21N3O2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.16337692
Names & identifiers
- Preferred name
- Lusaperidone
- IUPAC
- 3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
- English name
- LUSAPERIDONE
- Molecular formula
- C22H21N3O2
- Molecular weight
- 359.42
Names & synonyms
LusaperidoneLusaperidone [INN]lusaperidonaUNII-5KTD2O86CB5KTD2O86CBDTXSID301757353-(2-(3,4-Dihydrobenzofuro(3,2-c)pyridin-2(1H)-yl)ethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one3-(2-(3,4-Dihydrobenzofuro[3,2-c]pyridin-2(1H)-yl)ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one3-[2-(3,4-Dihydrobenzofuro[3,2-c]pyridin-2(1H)-yl)ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-oneLUSAPERIDONUMRefChem:154368DTXCID9098226
Show more names
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-(3,4-dihydrobenzofuro[3,2-c]pyridin-2(1H)-yl)ethyl]-2-methyl-2-Methyl-3-[2-(1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridin-2-yl)ethyl]-4H-pyrido[1,2-a]pyrimidin-4-one
214548-46-63-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one2-methyl-3-(2-{8-oxa-4-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),10,12-tetraen-4-yl}ethyl)-4H-pyrido[1,2-a]pyrimidin-4-oneR107474MFCD09837832SCHEMBL854077CHEMBL162501orb1709234
Database identifiers
- CAS
214548-46-6- PubChem CID
- 3045401
- DTXSID
DTXSID30175735- ChEMBL
CHEMBL162501- UNII
- 5KTD2O86CB
- Nikkaji
- J1.235.127E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- Boiling point
- 538.3 · 538.3±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 6.93 · 6.93±0.20(Predicted)
- color
- White to light yellow
- FDA UNII
- 5 KTD2O86CB · 5KTD2O86CB
Chemistry & industry
Applications
UsesLusaperidone (R107474) is an α2 adrenergic receptor antagonist with Kis of 0.13 and 0.15 nM for α2A and α2C, respectively.
Suppliers16 total
北京华美互利生物化工010-56205725 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
InvivoChem中国13549236410 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
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Compound notes
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