Basic information
- CAS
57083-89-3- Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1- InChIKey
XBYVCKARLGAKEX-UHFFFAOYSA-N- Molecular formula
- C20H22ClN3O4
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.1298839
Overview
Peralopride is a small molecule drug. The usage of the INN stem '-pride' in the name indicates that Peralopride is a sulpiride derivative and analogue. Peralopride has a monoisotopic molecular weight of 403.13 Da.
Names & identifiers
- Preferred name
- Peralopride
- IUPAC
- (4-amino-5-chloro-2-methoxyphenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone
- English name
- PERALOPRIDE
- Molecular formula
- C20H22ClN3O4
- Molecular weight
- 403.86
Names & synonyms
Peralopride57083-89-3PeralopridaPeralopride [INN](4-amino-5-chloro-2-methoxyphenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone61AYL7492M1-(4-Amino-5-chloro-o-anisoyl)-4-piperonylpiperazinePeralopridumPeralopridum [INN-Latin]Peraloprida [INN-Spanish]UNII-61AYL7492MEINECS 260-556-7
Show more names
1-(4-Amino-5-chloro-2-methoxybenzoyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine1-(4-Amino-5-chloro-2-methoxybenzoyl)-4-[(1,3-benzodioxol-5-yl)methyl]piperazine
SCHEMBL1230495CHEMBL2104842DTXSID50205705XBYVCKARLGAKEX-UHFFFAOYSA-NNS00033639Q27263329(4-Amino-5-chloro-2-methoxyphenyl){4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methanone
Database identifiers
- CAS
57083-89-3- PubChem CID
- 68768
- DTXSID
DTXSID50205705- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- FDA UNII
- 61 AYL7492M · 61AYL7492M
Chemistry & industry
Suppliers3 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
BOSCHESCI[email protected]
先进技术工业有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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