Ipratropium EP Impurity D - CAS 492-38-6

Name: Ipratropium EP Impurity D
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026669
Product Name:	Ipratropium EP Impurity D
CAS:	492-38-6
Synonyms:	Atropic Acid; 2-Phenylacrylic acid; alpha-Phenyl acrylic acid; 2-Phenylpropenoic acid; α-Methylenebenzeneacetic Acid

Technical Data

IUPAC Name:	2-phenylprop-2-enoic acid
Description:	Ipratropium EP Impurity D is an impurity of Ipratropium Bromide, which is a muscarinic antagonist and a bronchodilator.
Molecular Weight:	148.16
Molecular Formula:	C9H8O2
Canonical SMILES:	C=C(C1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
InChI Key:	ONPJWQSDZCGSQM-UHFFFAOYSA-N
Boiling Point:	267.834 °C at 760 mmHg
Melting Point:	104-107°C
Density:	1.141 g/cm³
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
MDL:	MFCD00046531
LogP:	1.78440

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22989032	20121015	Insights into the novel hydrolytic mechanism of a diethyl 2-phenyl-2-(2-arylacetoxy)methyl malonate ester-based microsomal triglyceride transfer protein (MTP) inhibitor	Chemical research in toxicology
22871802	20120925	(-)-(S)-Nakinadine B: first asymmetric synthesis	Chemical communications (Cambridge, England)
22853440	20120801	Phytochemicals and biological studies of plants from the genus Balanophora	Chemistry Central journal
22719533	20120601	Methyl (E)-2-[(2-nitro-phen-oxy)meth-yl]-3-phenyl-acrylate	Acta crystallographica. Section E, Structure reports online
22467254	20120301	Rapid resolution liquid chromatography for monitoring the quality of stockpiled atropine preparations for injection	Drug testing and analysis

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.052429494
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.052429494
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2