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AM211

CAT: 0127-BUP03060-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03060-06Size:100 mg
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CAS Number
1175526-27-8
Synonyms
AM211 free acid
Purity
=95%
Smiles
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)NCc1ccccc1

Chemical Information

Am-211
CAS Number1175526-27-8
PubChem CID44158492
IUPAC Name2-[3-[2-[[benzylcarbamoyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
Molecular FormulaC27H27F3N2O4
Molecular Weight500.5
XLogP4.9
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity714
SMILES
CCN(CC1=C(C=CC(=C1)C(F)(F)F)C2=C(C=CC(=C2)CC(=O)O)OC)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C27H27F3N2O4/c1-3-32(26(35)31-16-18-7-5-4-6-8-18)17-20-15-21(27(28,29)30)10-11-22(20)23-13-19(14-25(33)34)9-12-24(23)36-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,31,35)(H,33,34)
InChIKey
OPXIRFWNLBDKQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Am-211
CAS: 1175526-27-8
CID: 44158492
Formula: C27H27F3N2O4
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass500.19229183
Monoisotopic Mass500.19229183
Topological Polar Surface Area78.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity714
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

Alternative Products

CatalogName
MBS3846039-01AM211
A21612-10AM211 10mg
HY-13213AAM211 (sodium)
A21612-1AM211 1mg
A21612-100AM211 100mg
A21612-25AM211 25mg
A21612-5AM211 5mg
A21612-50AM211 50mg
A21612-10mM-DAM211 10mM * 1mL in DMSO

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