Basic information
- CAS
5982-87-6- Standard SMILES
CCN(CCCc1ccccc1)CCCc1ccccc1.Cl- InChIKey
ZKRKHXXSBDSIKQ-UHFFFAOYSA-N- Molecular formula
- C20H28ClN
- Average molar mass
- 317.9 g/mol
- Monoisotopic mass
- 317.1910276
Overview
Alverine hydrochloride is the hydrochloride salt of alverine. It has a role as an antispasmodic drug. It is a hydrochloride and an organoammonium salt. It contains an alverine(1+).
Names & identifiers
- Preferred name
- Benzenepropanamine, N-ethyl-N-(3-phenylpropyl)-, hydrochloride (1:1)
- IUPAC
- N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
- English name
- ethylbis(3-phenylpropyl)ammonium chloride
- Molecular formula
- C20H28ClN
- Molecular weight
- 317.89602
Names & synonyms
alverine hydrochloride5982-87-68K3R1YUZ4ICHEBI:53786DTXSID90904503N-ETHYL-3,3'-DIPHENYLDIPROPYLAMINE HYDROCHLORIDERefChem:916887DTXCID501333651Benzenepropanamine, N-ethyl-N-(3-phenylpropyl)-, hydrochloride (1:1)227-793-8N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochlorideEthylbis(3-phenylpropyl)ammonium chloride
Show more names
ALVERINE HCLUNII-8K3R1YUZ4Iorb1710706SCHEMBL5061747ZKRKHXXSBDSIKQ-UHFFFAOYSA-NN-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine hydrochlorideEINECS 227-793-8T0428L
Database identifiers
- CAS
5982-87-6- PubChem CID
- 80086
- DTXSID
DTXSID90904503- ChEBI
CHEBI:53786- UNII
- 8K3R1YUZ4I
- EC Number
- 227-793-8
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- FDA UNII
- 8 K3R1YUZ4I · 8K3R1YUZ4I
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Applications
UsesAlverine hydrochloride citrate is a 5-HT1A receptor antagonist, with an IC50 of 101 nM.
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: The hydrochloride salt of alverine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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