Basic information
- CAS
57645-91-7- Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1.O=C(O)CC(O)C(=O)[O-]- InChIKey
NYNKCGWJPNZJMI-UHFFFAOYSA-N- Molecular formula
- C24H30ClN3O7
- Average molar mass
- 508 g/mol
- Monoisotopic mass
- 507.177228
Overview
Clebopride malate is a member of piperidines.
Names & identifiers
- Preferred name
- Clebopride hydrogen malate
- IUPAC
- 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate
- English name
- CLEBOPRIDE MALATE
- Molecular formula
- C20H24ClN3O2.C4H6O5
- Molecular weight
- 507.96
Names & synonyms
Clebopride hydrogen malate4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoateMFCD01743960Malic acid, compound with 4-amino-N-(1-(benzyl)piperidin-4-yl)-5-chloro-2-methoxybenzamide (1:1)EINECS 260-874-6UNII-H9490V5216Clast (TN)Clebopride malate (JP17)CHEBI:31408HMS5085F04s6455AKOS027328050
Show more names
ClastAmicosClanzolClepridMotilexMitaprideCLEBOPRIDE MALATECLEBOPRIDE MALEATEClebopride malate CRSclebopridehydrogenmalate
D01742H102874-(4-Amino-5-chloro-2-methoxybenzamido)-1-benzylpiperidin-1-ium 3-carboxy-2-hydroxypropanoate
Database identifiers
- CAS
57645-91-7
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Sparingly soluble in water and in methanol, slightly soluble in anhydrous ethanol, practically insoluble in methylene chloride.
- form
- Solid
- color
- White to off-white
- InChIKey
- NYNKCGWJPNZJMI-UHFFFAOYSA-N
- SMILES
- C(C1C=C(C(=CC=1OC)N)Cl)(=O)NC1CCN(CC1)CC1C=CC=CC=1.C(O)(C(=O)O)CC(=O)O
- FDA UNII
- 9490 V5216 · H9490V5216
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesClebopride Malate is used in methods of using human spheroids for drug discovery.
UsesDopamine receptor antagonist; antiprotozoal (veterinary).
Suppliers75 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
北京索莱宝科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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