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Ethopabate

CAT: 0931-T0959-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T0959-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59-06-3
Target
Antibiotic, Parasite
Related Pathways
Microbiology/Virology
Purity
0.9844
Bioactivity
Ethopabate (Ethyl pabate) is an inhibitor of folate metabolism, used as a coccidiostat in poultry.
Smiles
CCOc1cc(NC(C)=O)ccc1C(=O)OC
Molecular Formula
C12H15NO4
Molecular Weight
237.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethopabate

Ethopabate is an amidobenzoic acid.

CAS Number59-06-3
PubChem CID6034
IUPAC Namemethyl 4-acetamido-2-ethoxybenzoate
Molecular FormulaC12H15NO4
Molecular Weight237.25
XLogP1.2
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity280
SMILES
CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC
InChI
InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKey
GOVWOKSKFSBNGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethopabate
CAS: 59-06-3
CID: 6034
Formula: C12H15NO4
MW: 237.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.25
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass237.10010796
Monoisotopic Mass237.10010796
Topological Polar Surface Area64.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity280
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
HY-B2138-01Ethopabate
FE22866-01Ethopabate - Technical
MBS6050824-01Ethopabate-d5
HY-B2138R-01Ethopabate (Standard)

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