Oxitropium bromide
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Basic information
- CAS
30286-75-0- Standard SMILES
CC[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]- InChIKey
LCELQERNWLBPSY-HVOMDDQQSA-M- Molecular formula
- C19H26BrNO4
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 411.10452
Overview
See also: Oxitropium Bromide (annotation moved to).
Names & identifiers
- Preferred name
- Oxitropium bromide
- IUPAC
- [(1R,2R,4S,5S)-9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide
- English name
- OXITROPIUM BROMIDE
- Molecular formula
- C19H26NO4.Br
- Molecular weight
- 412.32
Names & synonyms
oxitropium bromide30286-75-0OxiventBromure d'oxitropiumBromuro de oxitropioOxitropium (Bromide)TersiganTersigatBA-253SF4NW7NH7CBA2533-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,9-ethyl-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-, bromide,(1a,2b,4b,5a,7b)-
Show more names
oxitropiumBa 253ba253brba-253-br-lOxitropiumbromidoxitropiobromuro
VentilatOxitropio bromuroOxitropii bromidumOxytropium bromide(1R,2R,4S,5S,7s,9R)-9-ethyl-7-(((S)-3-hydroxy-2-phenylpropanoyl)oxy)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide[(1R,2R,4S,5S)-9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromideHyoscine ethobromideScopolamine ethobromide
Database identifiers
- CAS
30286-75-0- PubChem CID
- 6917865
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 203 · 203-204° (dec)
- alpha
- 21 · D21 -25° (c = 2.0 in water)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Very soluble in water, freely soluble in methanol, sparingly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.
- color
- Off-White to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 4 NW7NH7C · SF4NW7NH7C
- ATC code
- 3 BB02 · R03BB02
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 2250 mg/kg DRFUD44,117,79
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 orl-rat: 2250 mg/kg DRFUD44,117,79
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionOxitropium bromide is an analog of the anticholinergics methscopolamine bromide and ipratropium bromide, useful in the treatment of bronchial asthma. Cited advantages include a long duration of action and lack of cardiovascular effects.
UsesAnticholinergic; treatment of reversible airways obstruction.
UsesOxitropium Bromide is an anticholinergic agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
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Compound notes
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