Pyrrolidine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-ethyl-2-methyl-, hydrochloride (1:1)
Basic information
- CAS
16378-22-6- Standard SMILES
CCN1CCC(=C2c3ccccc3CCc3ccccc32)C1C.Cl- InChIKey
PLJNHZOEOXGWIR-UHFFFAOYSA-N- Molecular formula
- C22H26ClN
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1753775
Overview
Piroheptine hydrochloride is the hydrochloride salt of piroheptine. It has a role as an antiparkinson drug and a muscarinic antagonist. It contains a piroheptine(1+).
Names & identifiers
- Preferred name
- Pyrrolidine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-ethyl-2-methyl-, hydrochloride (1:1)
- IUPAC
- 1-ethyl-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)pyrrolidine;hydrochloride
- English name
- Piroheptine
- Molecular formula
- C22H25N.ClH
- Molecular weight
- 339.907
Names & synonyms
piroheptine hydrochloride16378-22-6TrimolPiroheptine HCl4ZM573199NCHEBI:32018FK-1190Pyrrolidine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-ethyl-2-methyl-, hydrochloridePYRROLIDINE, 3-(10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-1-ETHYL-2-METHYL-, HYDROCHLORIDE (1:1)RefChem:174557Piroheptine hydrochloride [JAN]Piroheptine (hydrochloride)
Show more names
Pyrrolidine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-ethyl-2-methyl-, hydrochloride (8CI, 9CI)
1-ethyl-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)pyrrolidine;hydrochloridePiroheptine hydrochloride (JAN)UNII-4ZM573199NTrimol (TN)orb1702936SCHEMBL1318520DTXSID00936870GLXC-06115
Database identifiers
- CAS
16378-22-6- PubChem CID
- 27844
- DTXSID
DTXSID00936870- ChEBI
CHEBI:32018- UNII
- 4ZM573199N
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 250 · 250-253°
- FDA UNII
- 4 ZM573199N · 4ZM573199N
- Toxicity
- 50 in · LD50 in male mice, rats (mg/kg): 153, 600 orally; 19, 17 i.v.; 95, 110 i.p.; 109, 330 s.c. (Hitomi)
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
- Toxicity
- LD50 in male mice, rats (mg/kg): 153, 600 orally; 19, 17 i.v.; 95, 110 i.p.; 109, 330 s.c. (Hitomi)
Chemistry & industry
Applications
UsesPiroheptine hydrochloride is an anticholinergic agent to inhibit dopamine uptake. Piroheptine hydrochloride prevents loss of striatal dopamine induced by MPTP (HY-15608). Piroheptine hydrochloride can be used for research in Parkinson[1].
Additional notes
DefinitionChEBI: Piroheptine hydrochloride is the hydrochloride salt of piroheptine. It has a role as an antiparkinson drug and a muscarinic antagonist. It contains a piroheptine(1+).
Related reactions
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Compound notes
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