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MK-447

CAT: 0931-T12063-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T12063-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58456-91-0
Target
Others, Prostaglandin Receptor
Related Pathways
GPCR/G Protein, Immunology/Inflammation, Others
Bioactivity
MK-447 is a nonsteroidal antiinflammatory agent.
Smiles
IC=1C=C(C=C(C1O)CN)C(C)(C)C
Molecular Formula
C11H16INO
Molecular Weight
305.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Aminomethyl-4-t-butyl-6-iodophenol

has gastric antisecretory activity; RN given refers to parent cpd; structure

CAS Number58456-91-0
PubChem CID119286
IUPAC Name2-(aminomethyl)-4-tert-butyl-6-iodophenol
Molecular FormulaC11H16INO
Molecular Weight305.15
XLogP3.3
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity190
SMILES
CC(C)(C)C1=CC(=C(C(=C1)I)O)CN
InChI
InChI=1S/C11H16INO/c1-11(2,3)8-4-7(6-13)10(14)9(12)5-8/h4-5,14H,6,13H2,1-3H3
InChIKey
SSEAPVMQZPKNQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminomethyl-4-t-butyl-6-iodophenol
CAS: 58456-91-0
CID: 119286
Formula: C11H16INO
MW: 305.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.15
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass305.02766
Monoisotopic Mass305.02766
Topological Polar Surface Area46.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity190
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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Alternative Products

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MBS387666-01MK-447
A13179-50MK-447 50mg
A13179-5MK-447 5mg
A13179-1MK-447 1mg
A13179-25MK-447 25mg
A13179-10MK-447 10mg
MBS131362PIM-447? PIM-447
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VXC56569-01PIM-447 dihydrochloride

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