Basic information
- CAS
2208-51-7- Standard SMILES
O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1- InChIKey
WPKPLSFHHBBLRY-UHFFFAOYSA-N- Molecular formula
- C21H24N4O2
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.18992602
Names & identifiers
- Preferred name
- Pelanserin
- IUPAC
- 3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione
- English name
- Pelanserin
- Molecular formula
- C21H24N4O2
- Molecular weight
- 364.44
Names & synonyms
Pelanserin2208-51-7PelanserinePelanserinaPelanserinum6SNR96E409DTXSID601765782,4(1H,3H)-Quinazolinedione, 3-(3-(4-phenyl-1-piperazinyl)propyl)-2,4(1H,3H)-Quinazolinedione, 3-[3-(4-phenyl-1-piperazinyl)propyl]-RefChem:170690DTXCID6099069TR2515
Show more names
Pelanserin Free Base3-(4'-phenyl-1-piperazinyl)-propyl-2,4-quinazolinedione
Pelanserin [INN]3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione3-(3-(4-Phenylpiperazin-1-yl)propyl)quinazoline-2,4(1H,3H)-dione3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione3-[3-(4-Phenylpiperazin-1-yl)propyl]quinazoline-2,4(1H,3H)-dioneSR-01000945189Pelanserine [French]Pelanserinum [Latin]
Database identifiers
- CAS
2208-51-7- PubChem CID
- 65435
- DTXSID
DTXSID60176578- ChEMBL
CHEMBL2110706- UNII
- 6SNR96E409
- Nikkaji
- J330.660G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- FDA UNII
- 6 SNR96E409 · 6SNR96E409
Chemistry & industry
Applications
UsesAntihypertensive; vasodilator (serotonin S2and 1adrenergic receptor blocker).
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
1 records
Compound notes
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