Basic information
- CAS
59831-64-0- Standard SMILES
O=C(c1ccc(F)cc1)C1CCN(CCCn2c(=O)[nH]c3cc(Cl)ccc32)CC1- InChIKey
DBESQBZOXMCXPV-UHFFFAOYSA-N- Molecular formula
- C22H23ClFN3O2
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.14628288
Overview
Milenperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Milenperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Milenperone has a monoisotopic molecular weight of 415.15 Da.
Names & identifiers
- Preferred name
- Milenperone
- IUPAC
- 6-chloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
- English name
- milenperone
- Molecular formula
- C22H23ClFN3O2
- Molecular weight
- 415.894
Names & synonyms
Milenperone59831-64-0MilenperonaMilenperonum9GC5JKP4BDR-34009R 34,009DTXSID602085605-Chloro-1-[3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one5-chloro-1-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propyl)-1,3-dihydro-2H-benzimidazol-2-oneRefChem:925893DTXCID10131051
Show more names
5-Chloro-1-[3-[4-(4-fluorobenzoyl)piperidino]propyl]-1,3-dihydro-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 5-chloro-1-[3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl]-1,3-dihydro-
261-947-5R 340096-chloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one5-Chloro-1-(3-(4-(p-fluorobenzoyl)piperidino)propyl)-2-benzimidazolinone2H-Benzimidazol-2-one, 5-chloro-1-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propyl)-1,3-dihydro-UNII-9GC5JKP4BDMilenperonum [INN-Latin]Milenperona [INN-Spanish]
Database identifiers
- CAS
59831-64-0- PubChem CID
- 65489
- DTXSID
DTXSID60208560- ChEMBL
CHEMBL2106976- UNII
- 9GC5JKP4BD
- EC Number
- 261-947-5
- Nikkaji
- J18.320B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Physicochemical properties
- Melting point
- 125 °C · >125°C (dec.)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 9 GC5JKP4BD · 9GC5JKP4BD
Chemistry & industry
Applications
UsesA specific serotonin-S2 antagonist. A selective drug for the control of behavioral disorders in epileptic and alcoholic patients.
Upstream & downstream products
Upstream raw materials
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
2 records
Compound notes
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