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KF 392

CAT: 0931-T25576-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25576-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60671-62-7
Target
Others
Related Pathways
Others
Bioactivity
KF 392 is antiulcer. It was found that KF-392 given orally to rats at 1.0 to 5.0 mg/kg had a marked suppression on the developments of Shay ulcer as well as the aspirin-, stress-, and reserpine-induced gastric lesions.
Smiles
O=C(O)C1C2OC(C=C2)C1C(=O)N.N
Molecular Formula
C8H12N2O4
Molecular Weight
200.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Oxabicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(aminocarbonyl)-, ammonium salt (1:1)

structure

CAS Number60671-62-7
PubChem CID13251291
IUPAC Nameazane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Molecular FormulaC8H12N2O4
Molecular Weight200.19
Topological Polar Surface Area90.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity299
SMILES
C1=CC2C(C(C1O2)C(=O)N)C(=O)O.N
InChI
InChI=1S/C8H9NO4.H3N/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h1-6H,(H2,9,10)(H,11,12);1H3
InChIKey
UTBRKYJEXZKRGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Oxabicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(aminocarbonyl)-, ammonium salt (1:1)
CAS: 60671-62-7
CID: 13251291
Formula: C8H12N2O4
MW: 200.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.19
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass200.07970687
Monoisotopic Mass200.07970687
Topological Polar Surface Area90.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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