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Bisoxatin acetate

CAT: 0931-T30476L-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30476L-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14008-48-1
Target
Others, SARS-CoV, Angiotensin-converting Enzyme (ACE)
Related Pathways
Metabolism, Microbiology/Virology, Others
Bioactivity
Bisoxatin acetate is a contact laxative in pearl form.
Smiles
O=C(OC1=CC=C(C=C1)C2(OC=3C=CC=CC3NC2=O)C4=CC=C(OC(=O)C)C=C4)C
Molecular Formula
C24H19NO6
Molecular Weight
417.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bisoxatin Acetate

Bisoxatin acetate is an organic molecular entity.

CAS Number14008-48-1
PubChem CID26391
IUPAC Name[4-[2-(4-acetyloxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl] acetate
Molecular FormulaC24H19NO6
Molecular Weight417.4
XLogP3.6
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity642
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
2D structure of Bisoxatin Acetate
CAS: 14008-48-1
CID: 26391
Formula: C24H19NO6
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass417.12123733
Monoisotopic Mass417.12123733
Topological Polar Surface Area90.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity642
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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