Basic information
- CAS
545-80-2- Standard SMILES
COS(=O)(=O)[O-].C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
DQHAZEKGLAMVFA-UHFFFAOYSA-M- Molecular formula
- C22H29NO7S
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.16647344
Names & identifiers
- Preferred name
- Pyrrolidinium, 2-(((2-hydroxy-2,2-diphenylacetyl)oxy)methyl)-1,1-dimethyl-, methyl sulfate (1:1)
- IUPAC
- (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate
- English name
- poldine metilsulfate
- Molecular formula
- C21H26NO3.CH3O4S
- Molecular weight
- 451.537
Names & synonyms
Poldine methylsulfate545-80-2NactonPoldine methylsulphateAlfalandNactatePoldine methosulfatePoldine metilsulphateMcN-R-726-47I.S. 499Poldine methyl methosulfateCLB-499
Show more names
PoldineI.S.499PoldinaMcNR-726-47poldine metilsulfatePyrrolidinium, 2-(hydroxydiphenylacetyl)oxymethyl-1,1-dimethyl-, methyl sulfate (salt)
IS-499I.S.-499564C0W9848PYRROLIDINIUM, 2-(((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)METHYL)-1,1-DIMETHYL-, METHYL SULFATE (1:1)PYRROLIDINIUM, 2-(((HYDROXYDIPHENYLACETYL)OXY)METHYL)-1,1-DIMETHYL-, METHYL SULFATE (SALT)Nacton ftepoldine methyl sulfatepoldine methyl sulphate
Database identifiers
- CAS
545-80-2- PubChem CID
- 11017
- DTXSID
DTXSID80969686- ChEMBL
CHEMBL2106739- UNII
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Melting point
- 154 · 154-155°
- storage temp.
- 2 · 2-8°C
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChIKey
- DQHAZEKGLAMVFA-UHFFFAOYSA-M
- SMILES
- [S](=O)(=O)([O-])OC.[N+]1(C(CCC1)COC(=O)C(O)(c3ccccc3)c2ccccc2)(C)C
- FDA UNII
- 564 C0W9848 · 564C0W9848
- ATC code
- 3 AB11 · A03AB11
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPyrrolidinium, 2-(hydroxydiphenylacetyl)oxymethyl-1,1-dimethyl-, methyl sulfate (salt): Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAnticholinergic.
Suppliers3 total
Pharmaffiliates Analytics and Synthetics P. Ltd[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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