Bisoxatin (acetate)

CAT: 0804-HY-117749-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0804-HY-117749-01Size:1 g

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Description

Bisoxatin (WY 8138; DB09219) acetate is a laxative agent. Bisoxatin acetate is a stimulant for intestinal peristalsis and has the potential for the research of constipation disorder[1].

CAS Number

14008-48-1

Product Name Alternative

WY 8138; DB09219 (acetate)

UNSPSC

12352005

Hazard Statement

H302-H315-H319

Target

Others

Type

Reference compound

Related Pathways

Others

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/bisoxatin-acetate.html

Smiles

O=C1C(C2=CC=C(C=C2)OC(C)=O)(OC3=CC=CC=C3N1)C4=CC=C(C=C4)OC(C)=O

Molecular Formula

C24H19NO6

Molecular Weight

417.41

Precautions

P264-P270-P280-P302+P352-P330-P362+P364-P501

References & Citations

[1]Rider JA. Treatment of acute and chronic constipation with bisoxatin acetate and bisacodyl. Double-blind crossover study. Curr Ther Res Clin Exp. 1971 Jun;13 (6) :386-92.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Bisoxatin Acetate

Bisoxatin acetate is an organic molecular entity.

CAS Number	14008-48-1
PubChem CID	26391
IUPAC Name	[4-[2-(4-acetyloxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl] acetate
Molecular Formula	C24H19NO6
Molecular Weight	417.4
XLogP	3.6
Topological Polar Surface Area	90.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	642

SMILES

CC(=O)OC1=CC=C(C=C1)C2(C(=O)NC3=CC=CC=C3O2)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)

InChIKey

ZCBJDQBSLZREAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14008-48-1

CID: 26391

Formula: C24H19NO6

MW: 417.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	417.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	417.12123733
Monoisotopic Mass	417.12123733
Topological Polar Surface Area	90.9 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	642
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Bisoxatin (acetate)

Chemical Information

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