Itopride Hydrochloride
Basic information
- CAS
122892-31-3- Standard SMILES
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC.Cl- InChIKey
ZTOUXLLIPWWHSR-UHFFFAOYSA-N- Molecular formula
- C20H27ClN2O4
- Average molar mass
- 394.9 g/mol
- Monoisotopic mass
- 394.165935
Overview
See also: Itopride (has active moiety).
Names & identifiers
- Preferred name
- Itopride Hydrochloride
- IUPAC
- N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride
- English name
- Itopride hydrochloride
- Molecular formula
- C20H27ClN2O4
- Molecular weight
- 394.89
Names & synonyms
itopride hydrochloride122892-31-3ITOPRIDE HClHSR-803Hsr 803DTXSID50466932H9NV66W0IDTXCID3026693Benzamide, N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxy-, monohydrochlorideN-((4-(2-(Dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxybenzamide monohydrochlorideRefChem:150205Ganaton
Show more names
ItaxHC-803Ganatoltopride HydrochlorideItopride Hydrochloride >Itopride Hydrochloride - API
Itopride (hydrochloride)N-(4-(2-(dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzamide hydrochlorideHSR803Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-, hydrochloride (1:1)topride HClMFCD00881710n-[4-(2-dimethylaminoethoxy)benzyl]-3,4-dimethoxybenzamide hclN-[4-(2-Dimethylaminoethoxy)benzyl]-3,4-dimethoxybenzamide hydrochloride
Database identifiers
- CAS
122892-31-3- PubChem CID
- 129791
- DTXSID
DTXSID5046693- ChEMBL
CHEMBL2139257- UNII
- 2H9NV66W0I
- EC Number
- 602-905-1
Properties
Computed structural properties
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 194 · 194-1950C
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: ≥48mg/mL
- form
- powder
- color
- white to tan
- Water Solubility
- 2 O: · H2O: ≥48mg/mL
- λmax
- 258 nm · 258nm(MeOH)(lit.)
- Merck
- 14 · 14,5244
- InChI
- InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H
- InChIKey
- ZTOUXLLIPWWHSR-UHFFFAOYSA-N
- SMILES
- C1(C(=O)NCC2=CC=C(OCCN(C)C)C=C2)=CC=C(OC)C(OC)=C1.Cl
- CAS DataBase Reference
- 122892 · 122892-31-3(CAS DataBase Reference)
- FDA UNII
- 2 H9NV66W0I · 2H9NV66W0I
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 9 · GHS09
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
H400 (97.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (97.6%)
Safety data
- wgk
- 3
- rtecs
- CV4552000
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 2924.29.7790
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
DescriptionItopride, a gastroprokinetic benzamide derivative was launched in Japan for the relief of gastrointestinal symptoms in patients with chronic gastritis. ltopride is a dopamine D2-receptor antagonist that stimulates acetylcholine (Ach) release on the postganglionic cholinergic neurons to cause Ach accumulation at muscarinic receptors and, therefore, enhances Ach-induced gastric contractions. In animal models, itopride was reported to increase GI transit and gastric emptying.
UsesDopamine D2-receptor antagonist with anticholinesterase activity. Gastroprokinetic
UsesDopamine D2 receptor blockade,acetylcholinesterase inhibitor
UsesAnti-Spasmodics
General DescriptionItopride hydrochloride is a new prokinetic drug.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…