Basic information
- CAS
561-43-3- Standard SMILES
C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]- InChIKey
SXGOKQARVJHRML-UHFFFAOYSA-M- Molecular formula
- C21H32BrNO3
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 425.15656
Names & identifiers
- Preferred name
- Pyrrolidinium, 2-(((2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy)methyl)-1,1-dimethyl-, bromide (1:1)
- IUPAC
- (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide
- English name
- oxypyrronium bromide
- Molecular formula
- C21H32BrNO3
- Molecular weight
- 426.38768
Names & synonyms
Oxypyrronium bromideImmetropanImetro561-43-3Bromure d'oxypyrroniumBromuro de oxipirronioOxypyrronii bromidumLD 3055BRL-5561D79RM7Q04BM-3055LD-3055
Show more names
LD3055L.D. 3055OxypyrroniumOxipyrroniumBromide(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenyl-ethanoate bromide
2-(((Cyclohexylhydroxyphenylacetyl)oxy)methyl)-1,1-dimethylpyrrolidinium, bromidePYRROLIDINIUM, 2-(((2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETYL)OXY)METHYL)-1,1-DIMETHYL-, BROMIDE (1:1)oxypyrronium (cation)RefChem:169087209-219-8Oxypyrronium bromide [INN](1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;bromideoxypyrroniumbromid
Database identifiers
- CAS
561-43-3- PubChem CID
- 71507
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- FDA UNII
- 1 D79RM7Q04 · 1D79RM7Q04
- Toxicity
- 50 oral · LD50 oral in rat: 780mg/kg
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 oral in rat: 780mg/kg
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [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]
Related reactions
0 records
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Compound notes
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