Ipratropii bromidum
Basic information
- CAS
58073-59-9- Standard SMILES
CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-]- InChIKey
LHLMOSXCXGLMMN-UHFFFAOYSA-M- Molecular formula
- C20H30BrNO3
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 411.14091
Names & identifiers
- Preferred name
- Ipratropii bromidum
- IUPAC
- (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide
- English name
- (endo,anti)-(±)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
- Molecular formula
- C20H30NO3.Br
- Molecular weight
- 412.36
Names & synonyms
Ipratropii bromidum8-anti-Ipratropium Bromide58073-59-9MFCD00792907(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;bromide(endo,syn)-(+/-)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane bromideIpratropium (bromide)CHEMBL1237108Ipratropium impurity B CRSSCHEMBL3853MLS006009993orb1225624
Show more names
Ipratropium Bromide EP Impurity BSch-1178Ipratropium Impurity BIpratropium EP Impurity BIPRATROPIUM IMPURITY B (Crude)Ipratropium EP Impurity B BromideIpratropium Impurity B (I0361000)IpratropiuM BroMide Related CoMpound BIpratropium Bromide EP Impurity B Bromide
LHLMOSXCXGLMMN-UHFFFAOYSA-MHMS1569D12HMS3266J19HMS3371M05HMS3411B05HMS3651O15HMS3675B05HMS3884K06
Database identifiers
- CAS
58073-59-9- PubChem CID
- 31098
- ChEMBL
CHEMBL1237108- EC Number
- 261-098-0
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- Stability
- Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19,21;
- InChIKey
- LHLMOSXCXGLMMN-WDTICOSONA-M
- SMILES
- C([N+]1([C@@H]2C[C@@H](OC(=O)C(C3C=CC=CC=3)CO)C[C@H]1CC2)C)(C)C.[Br-] |&1:2,4,18,r|
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
- HS Code
- 2939800000 · 2939800000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2939800000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses8-anti-Ipratropium Bromide (Ipratropium EP Impurity B) is a related compound to Ipratropium Bromide (I740500), nonselective muscarinic acetylcholine receptor antagonist; bronchodilator.
Suppliers
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Related reactions
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Compound notes
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