Pipoxolan hydrochloride

CAT: 0931-T70153-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70153-01Size:25 mg

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CAS Number

18174-58-8

Target

Others

Related Pathways

Others

Bioactivity

Pipoxolan (HCl) is an antispasmodic drug. In vivo, the drug inhibited the contractions of intestines caused by neostigmine, barium chloride or injection of acetylcholine. The drug possesses ganglioplegic action and inhibited the decrease in blood pressure caused by stimulation of the vagus nerve. The drug is marketed under tradename Rowapraxin worldwide for the treatment of spasms and colics in the gastrointestinal tract, gallbladder and urogenital area, bronchial spasms, spastic menstrual cramps. Recent studies have shown that pipoxalan has anticancer activity and inhibits proliferation of leukemia cells in animal models.

Smiles

Cl.O=C1OC(CCN2CCCCC2)OC1(c1ccccc1)c1ccccc1

Molecular Formula

C22H26ClNO3

Molecular Weight

387.904

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pipoxolan Hydrochloride

See also: Pipoxolan (has active moiety).

CAS Number	18174-58-8
PubChem CID	28931
IUPAC Name	5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride
Molecular Formula	C22H26ClNO3
Molecular Weight	387.9
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	444

SMILES

C1CCN(CC1)CCC2OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H25NO3.ClH/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H

InChIKey

JXNQXJVDHXGEPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18174-58-8

CID: 28931

Formula: C22H26ClNO3

MW: 387.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	387.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	387.1601214
Monoisotopic Mass	387.1601214
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	444
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Pipoxolan hydrochloride

Chemical Information

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