Basic information
- CAS
22254-24-6- Standard SMILES
CC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(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
Overview
Ipratropium bromide is the anhydrous form of the bromide salt of ipratropium. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma. It has a role as a bronchodilator agent, a muscarinic antagonist and an antispasmodic drug. It contains an ipratropium.
Names & identifiers
- Preferred name
- (endo,Anti)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide
- IUPAC
- [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
- English name
- endo-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
- Molecular formula
- C20H30BrNO3
- Molecular weight
- 412.3611
Names & synonyms
(endo,Anti)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromideRefChem:1050959ipratropium bromide22254-24-6AtroventItropIpratropiumbromidBromure d'ipratropiumBromuro de ipratropio8-Isopropylnoratropine methobromideSch 1000Ipratropium Bromide'
Show more names
endo-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
58073-59-9Ipratropium Bromide EP Impurity BIpratropium bromide [INN]MFCD00069291Ipratropium bromide monohydrateN-Isopropylnoratropinium bromomethylateC20H30BrNO3Ipratropium bromide anhydrous
Database identifiers
- CAS
22254-24-6、24358-20-1、58073-59-9、60251-88-9- PubChem CID
- 657308
- DTXSID
DTXSID10860753
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
Experimental & physicochemical properties
Collision Cross Section179.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
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%)
Chemistry & industry
Pharmacology
ATC CodeR03BB01
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
深圳市健竹科技有限公司0755-89218110 13480856786 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
武汉灵灵九生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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