Basic information
- CAS
15394-61-3- Standard SMILES
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1- InChIKey
DMXLLYHBWUOZCZ-UHFFFAOYSA-N- Molecular formula
- C21H26NO3+
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.19126869
Overview
Parapenzolate is a diarylmethane.
Names & identifiers
- Preferred name
- Parapenzolate
- IUPAC
- (1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate
- English name
- Piperidinium, 4-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-
- Molecular formula
- C21H26NO3+
- Molecular weight
- 340.44
Names & synonyms
ParapenzolateParapenzolate ionParapenzolate cationUNII-H32IAP81LXH32IAP81LX15394-61-34-Hydroxy-1,1-dimethylpiperidinium benzilatePiperidinium, 4-((hydroxydiphenylacetyl)oxy)-1,1-dimethyl-PARAPENZOLATE [WHO-DD]DTXSID70165498RefChem:169990DTXCID6087989
Show more names
Parapenzolate Free BasePiperidinium, 4-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-
orb1739007CHEMBL2110714SCHEMBL14547205CHEBI:135444AB01566939_01Q272795804-{[Hydroxydi(phenyl)acetyl]oxy}-1,1-dimethylpiperidin-1-ium
Database identifiers
- CAS
15394-61-3- PubChem CID
- 68640
- DTXSID
DTXSID70165498- ChEMBL
CHEMBL2110714- ChEBI
CHEBI:135444- UNII
- H32IAP81LX
- Nikkaji
- J238.551A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 422
Physicochemical properties
- FDA UNII
- 32 IAP81LX · H32IAP81LX
Chemistry & industry
Suppliers2 total
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]
Additional notes
DefinitionChEBI: Parapenzolate is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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