Oxolamine citrate salt - CAS 1949-20-8

Name: Oxolamine citrate salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015089
Product Name:	Oxolamine citrate salt
CAS:	1949-20-8
Synonyms:	N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Application:	Antitussive Agents

Technical Data

IUPAC Name:	N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Description:	Oxolamine citrate is a cough suppressant with anti-inflammatory activity.
Molecular Weight:	437.44
Molecular Formula:	C14H19N3O · C6H8O7
Canonical SMILES:	CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI:	InChI=1S/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key:	RBZIGQJSMCOHSS-UHFFFAOYSA-N
Boiling Point:	364.8 °C at 760 mmHg
Melting Point:	141-142 °C
Purity:	98 %
Density:	1.066 g/cm³
Solubility:	Soluble to 10 mM in H2O
Appearance:	White or off-white crystalline powder
Storage:	Store in a cool and dry place and at 0 - 4 °C for short term (days to weeks) or -21 °C for long term (months to years).
LogP:	1.37240

Publication Number	Title	Priority Date
WO-2021028596-A1	Modulating extracellular matrix movement	20190815
WO-2021021055-A1	Combination of oxolamine and terbutaline	20190726
WO-2020131958-A1	Pond reactor for recovery of metals	20181218
WO-2020076315-A1	Compositions and methods for purification of metals from steel making waste streams	20181010
CN-113165897-A	Compositions and methods for purifying metals from steelmaking waste streams	20181010

PMID	Publication Date	Title	Journal
17295362	20070401	Gender difference in the pharmacokinetic interaction between oral warfarin and oxolamine in rats: inhibition of CYP2B1 by oxolamine in male rats	Biopharmaceutics & drug disposition
16390929	20060115	Effect of oxolamine on anticoagulant effect of warfarin	American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists
11863211	20020101	Effect of oxolamine on cough sensitivity in COPD patients	Respiratory medicine

Complexity:	454
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	437.17981483
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	11
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	437.17981483
Rotatable Bond Count:	11
Topological Polar Surface Area:	174
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0