8-anti-Ipratropium Bromide - CAS 58073-59-9

Name: 8-anti-Ipratropium Bromide
Brand: BOC Sciences
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Catalog:	BB056312
Product Name:	8-anti-Ipratropium Bromide
CAS:	58073-59-9
Synonyms:	(3-endo,8-anti)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-Azoniabicyclo[3.2.1]octane Bromide; 8-Azoniabicyclo[3.2.1]octane, (endo,anti)-(±)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, Bromide; (endo,anti)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane Bromide; Sch 1178; USP Ipratropium Bromide Related Compound B; Ipratropium EP Impurity B

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IUPAC Name:	(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoatebromide
Description:	8-anti-Ipratropium Bromide (Ipratropium EP Impurity B) is a related compound to Ipratropium Bromide (I740500), nonselective muscarinic acetylcholine receptor antagonist; bronchodilator.
Molecular Weight:	412.36
Molecular Formula:	C20H30BrNO3
Canonical SMILES:	CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]
InChI:	InChI=1S/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,9-13H2,1-3H31H/q+1/p-1
InChI Key:	LHLMOSXCXGLMMN-UHFFFAOYSA-M
Melting Point:	233 - 235°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Groeben, H., et al. Anesthesiology, 85, 867 (1996), Haddad, et al. Br. J. Pharmacol., 127, 413 (1999), Barnes, P. J., et al. Chest, 117, 63S (2000),.

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P313, P337+P317, P342+P316, P362+P364, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
30166326	20181101	The short-term bronchodilator effects of the dual phosphodiesterase 3 and 4 inhibitor RPL554 in COPD	The European respiratory journal
28987804	20180201	Pharmacodynamics, pharmacokinetics and safety of revefenacin (TD-4208), a long-acting muscarinic antagonist, in patients with chronic obstructive pulmonary disease (COPD): Results of two randomized, double-blind, phase 2 studies	Pulmonary pharmacology & therapeutics
28546381	20170601	Adjunct Therapies for Refractory Status Asthmaticus in Children	Respiratory care
24431217	20140401	Ipratropium bromide-mediated myocardial injury in in vitro models of myocardial ischaemia/reperfusion	Toxicological sciences : an official journal of the Society of Toxicology
23886498	20131205	Inhalation toxicity of soman vapor in non-anesthetized rats: a preliminary assessment of inhaled bronchodilator or steroid therapy	Chemico-biological interactions
23956101	20131101	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development	Toxicological sciences : an official journal of the Society of Toxicology
22782274	20121101	Predictors of adherence to inhaled medications among Veterans with COPD	Journal of general internal medicine
22898550	20121015	Differential effects of inhaled methacholine on circumferential wall and vascular smooth muscle of third-generation airways in awake sheep	Journal of applied physiology (Bethesda, Md. : 1985)
22457014	20121001	Salbutamol but not ipratropium abolishes leukotriene D4-induced gas exchange abnormalities in asthma	European journal of clinical pharmacology
21802882	20120901	Lactic acidosis as a complication of β-adrenergic aerosols	The American journal of emergency medicine

Complexity:	430
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	411.14091
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	411.14091
Rotatable Bond Count:	6
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0

8-anti-Ipratropium Bromide - CAS 58073-59-9

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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