Basic information
- CAS
587-46-2- Standard SMILES
CN(C)C(=O)Oc1ccc[n+](Cc2ccccc2)c1.[Br-]- InChIKey
YIUNVJGEMXODJX-UHFFFAOYSA-M- Molecular formula
- C15H17BrN2O2
- Average molar mass
- 337.21 g/mol
- Monoisotopic mass
- 336.04734
Names & identifiers
- Preferred name
- Benzpyrinium Bromide
- IUPAC
- (1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
- English name
- BENZPYRINIUM BROMIDE
- Molecular formula
- C15H17BrN2O2
- Molecular weight
- 337.21
Names & synonyms
BENZPYRINIUM BROMIDE587-46-2BenzostigmineBromure de benzpyriniumBromuro de benzopirinioBenzpyrinii bromidumBenzpyrinium bromide [INN]Benzpyrinii bromidum [INN-Latin]UNII-X0L78YB79MBromure de benzpyrinium [INN-French]Bromuro de benzopirinio [INN-Spanish]1-Benzyl-3-dimethylcarbamoyloxypyridinium bromide
Show more names
Benzpyrinium1-Benzyl-3-((dimethylcarbamoyl)oxy)pyridin-1-ium bromide(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide[1-(phenylmethyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromideN,N-dimethylcarbamic acid (1-benzylpyridin-1-ium-3-yl) ester bromide
X0L78YB79MBenzpyrinium bromide [INN:NF]1-Benzyl-3-hydroxypyridinium bromide dimethylcarbamatePyridinium, 1-benzyl-3-dimethylcarbamoyloxy-, bromidePyridinium, 1-benzyl-3-hydroxy-, bromide, dimethylcarbamateBENZPYRINIUM BROMIDE [MI]Pyridinium, 3-((dimethylaminocarbonyl)oxy)-1-(phenylmethyl)-, bromideBenzpyrinii bromidum (INN-Latin)
Database identifiers
- CAS
587-46-2- PubChem CID
- 11481
- DTXSID
DTXSID70974224- ChEMBL
CHEMBL2106108- UNII
- X0L78YB79M
Properties
Computed structural properties
- Topological polar surface area
- 33.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 114 · 114-115°
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 0 L78YB79M · X0L78YB79M
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
河南东元化工科技有限公司16696119288 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
嘉兴诺华化工有限公司021-20921617 18957373295 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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