Basic information
- CAS
5634-41-3- Standard SMILES
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1.[Br-]- InChIKey
NHTZWXHFTDRAEO-UHFFFAOYSA-M- Molecular formula
- C21H26BrNO3
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.10961
Overview
RN given refers to bromide
Names & identifiers
- Preferred name
- Piperidinium, 4-((2-hydroxy-2,2-diphenylacetyl)oxy)-1,1-dimethyl-, bromide (1:1)
- IUPAC
- (1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate bromide
- English name
- parapenzolate bromide
- Molecular formula
- C21H26NO3.Br
- Molecular weight
- 420.344
Names & synonyms
Parapenzolate bromide5634-41-3Parapenzolati bromidumBromure de parapenzolateBromuro de parapenzolatoSch 3444SCH-3444K2A047674Oparapenzolato bromuroparapenzolate (cation)RefChem:9293334-benzyloyloxy-1,1-dimethylpiperidinium bromide
Show more names
Parapenzolate(1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate bromide(1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenyl-ethanoate bromide2-hydroxy-2,2-diphenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester bromide
Piperidinium, 4-((2-hydroxy-2,2-diphenylacetyl)oxy)-1,1-dimethyl-, bromide (1:1)227-080-1Parapenzolate (bromide)(1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate;bromideRelanol; Relenol; Sch 3444; VagopaxPiperidinium, 4-((hydroxydiphenylacetyl)oxy)-1,1-dimethyl-, bromideUNII-K2A047674OParapenzolate bromide [USAN:INN]
Database identifiers
- CAS
5634-41-3- PubChem CID
- 68639
- DTXSID
DTXSID10971772- ChEMBL
CHEMBL2105468- UNII
- K2A047674O
- EC Number
- 227-080-1
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Melting point
- 237 · 237-238 °C
- FDA UNII
- 2 A047674O · K2A047674O
Chemistry & industry
Applications
UsesAnticholinergic.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [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）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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