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Ipratropium (bromide hydrate)

CAT: 0804-HY-B1332-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1332-01Size:50 mg
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Description
Ipratropium bromide (Sch 1000) hydrate is a muscarinic receptor antagonist, with IC50s of 2.9 nM, 2 nM, and 1.7 nM for M1, M2, and M3 receptors, respectively. Ipratropium bromide hydrate relaxes smooth muscle, can be used in the research for COPD (chronic obstructive pulmonary disease) and asthma[1][2][3][4][5].
CAS Number
66985-17-9
Product Name Alternative
Sch 1000 (bromide hydrate)
UNSPSC
12352005
Hazard Statement
H302+H332, H319
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ipratropium-bromide-hydrate.html
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 50 mg/mL (ultrasonic)
Smiles
C[N+]1([C@H]2CC[C@H]1CC(OC(C(CO)C3=CC=CC=C3)=O)C2)C(C)C.O.[Br-]
Molecular Formula
C20H32BrNO4
Molecular Weight
430.38
Precautions
H302+H332, H319
References & Citations
[1]Fryer AD, et al. Maclagan, Ipratropium bromide potentiates bronchoconstriction induced by vagal nerve stimulation in the guinea-pig. Eur J Pharmacol, 1987. 139 (2) : p. 187-91. |[2]Harvey, et al. Maddock, Ipratropium Bromide-Mediated Myocardial Injury in In Vitro Models of Myocardial Ischaemia/Reperfusion. Toxicol Sci, 2014. |[3]Maria Prat, et al. Discovery of novel quaternary ammonium derivatives of (3R) -quinuclidinyl amides as potent and long acting muscarinic antagonists. Bioorg Med Chem Lett. 2015 Apr 15;25 (8) :1736-1741. |[4]Wenhui Zhang, et al. Anti-inflammatory effects of formoterol and ipratropium bromide against acute cadmium-induced pulmonary inflammation in rats. Eur J Pharmacol. 2010 Feb 25;628 (1-3) :171-8. |[5]Venkatasamy R, et al. Novel relaxant effects of RPL554 on guinea pig tracheal smooth muscle contractility. Br J Pharmacol. 2016 Aug;173 (15) :2335-51.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
MAChR1; mAChR2; mAChR3

Chemical Information

Ipratropium bromide hydrate

Ipratropium bromide hydrate is the monohydrate form of ipratropium bromide. 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 and a muscarinic antagonist. It contains an ipratropium bromide.

CAS Number66985-17-9
PubChem CID16738693
IUPAC Name[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide;hydrate
Molecular FormulaC20H32BrNO4
Molecular Weight430.4
Topological Polar Surface Area47.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity430
SMILES
CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.O.[Br-]
InChI
InChI=1S/C20H30NO3.BrH.H2O/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;1H2/q+1;;/p-1/t16-,17+,18?,19?,21?;;
InChIKey
KEWHKYJURDBRMN-XFQAGIBXSA-M
Chemical Structure
2D Structure
2D structure of Ipratropium bromide hydrate
CAS: 66985-17-9
CID: 16738693
Formula: C20H32BrNO4
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass429.15147
Monoisotopic Mass429.15147
Topological Polar Surface Area47.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity430
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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