Basic information
- CAS
24353-18-2- Standard SMILES
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C- InChIKey
JTPUMZTWMWIVPA-UHFFFAOYSA-O- Molecular formula
- C23H33N2O+
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.25928868
Overview
Isopropamide is a diarylmethane.
Names & identifiers
- Preferred name
- Isopropamide
- IUPAC
- (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium
- English name
- (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium
- Molecular formula
- C23H33N2O+
- Molecular weight
- 353.52092
Names & synonyms
isopropamide7492-32-2IsopropamidIsopropamide ionIsopropamide cation(3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammoniumDTXSID9023174EINECS 231-316-98B9I31H724BRN 3913368ISOPROPAMIDE [VANDF]ISOPROPAMIDE [WHO-DD]
Show more names
C07055(3-Aminocarbonyl-3,3-diphenylpropyl)diisopropylmethylaminium(4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium
DTXCID203174AMMONIUM, (3-CARBAMOYL-3,3-DIPHENYLPROPYL)DIISOPROPYLMETHYL-Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-Benzenepropanaminium, gamma-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-gamma-phenyl-RefChem:792089(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium231-316-9Chloroisopropamide
Database identifiers
- CAS
24353-18-2、71-81-8、7492-32-2- PubChem CID
- 3775
- DTXSID
DTXSID9023174- ChEMBL
CHEMBL1201232
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 419
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Solubility4.24e-05 g/L
Human DrugsPharmaceuticals
Melting Point182-184
Physical DescriptionSolid
Collision Cross Section185.74 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- FDA UNII
- 8 B9I31H724 · 8B9I31H724
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsIsopropamide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.
Mechanism of Action
Anticholinergics are a class of medications that inhibit parasympathetic nerve impulses by selectively blocking the binding of the neurotransmitter acetylcholine to its receptor in nerve cells. The nerve fibers of the parasympathetic system are responsible for the involuntary movements of smooth muscles present in the gastrointestinal tract. Inhibition here decreases acidity and motility, aiding in the treatment of gastrointestinal disorders.
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesAnticholinergic.
Suppliers5 total
InvivoChem中国13549236410 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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