Ipratropium bromide 50mg

CAT: 0628-A10476-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A10476-50Size:50 mg

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CAS Number

22254-24-6

Chemical Information

(endo,Anti)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide

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.

CAS Number	22254-24-6
PubChem CID	657308
IUPAC Name	[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Molecular Formula	C20H30BrNO3
Molecular Weight	412.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	430

SMILES

CC(C)[N+]1([C@@H]2CC[C@H]1CC(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,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21?;

InChIKey

LHLMOSXCXGLMMN-CLTUNHJMSA-M

Chemical Structure

2D Structure

CAS: 22254-24-6

CID: 657308

Formula: C20H30BrNO3

MW: 412.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	412.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	411.14091
Monoisotopic Mass	411.14091
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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255518	Ipratropium bromide
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HY-B1332-01	Ipratropium (bromide hydrate)

Ipratropium bromide 50mg

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