Domperidone Maleate
Basic information
- CAS
83898-65-1- Standard SMILES
O=C(O)/C=C\C(=O)O.O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1- InChIKey
OAUUYDZHCOULIO-BTJKTKAUSA-N- Molecular formula
- C26H28ClN5O6
- Average molar mass
- 542 g/mol
- Monoisotopic mass
- 541.1728113
Overview
See also: Domperidone (has active moiety) ... View More ...
Names & identifiers
- Preferred name
- Domperidone Maleate
- IUPAC
- (Z)-but-2-enedioic acid;6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
- English name
- 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one maleate
- Molecular formula
- C26H28ClN5O6
- Molecular weight
- 541.99
Names & synonyms
Domperidone Maleate83898-65-1899U5WF46ADTXSID901019221CHEBI:59812RefChem:135606DTXCID401477210281-277-799497-03-7UNII-899U5WF46ADomperidone (monomaleate)EINECS 281-277-7
Show more names
Z-Domperidone MaleateDomperidone maleate CRSDomperidone monomaleateDomperidone Maleate (1:1)pyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one maleate5-CHLORO-1-[1-[2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-1-YL)PROPYL]-4-PIPERIDINE]-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE
MFCD07370074C26H28ClN5O6(Z)-but-2-enedioic acid;6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one maleate5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2h-benzimidazol-2-one maleatePrestwick-06G025-Chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one maleateE-Domperidone Maleate
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 774
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- Solid
- color
- White to off-white
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChIKey
- OAUUYDZHCOULIO-BTJKTKAUSA-N
- SMILES
- C(/C(=O)O)=C/C(=O)O.O=C1NC2C=C(Cl)C=CC=2N1C1CCN(CCCN2C(NC3C=CC=CC2=3)=O)CC1
- FDA UNII
- 899 U5WF46A · 899U5WF46A
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Repr. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - 2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, (Z)-2-butenedioate (1:1): Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H412
- Hazard Classifications
- Repr. 2
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.
Applications
UsesDomperidone maleate EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.
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Compound notes
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