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Nequinate

CAT: 0931-T8337-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8337-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13997-19-8
Target
Parasite, Xanthine Oxidase
Related Pathways
Metabolism, Microbiology/Virology
Purity
>99.99%
Bioactivity
Nequinate is an anticoccidial agent, preventing coccidiosis .
Smiles
CCCCc1cc2c(cc1OCc1ccccc1)[nH]cc(C(=O)OC)c2=O
Molecular Formula
C22H23NO4
Molecular Weight
365.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nequinate

Nequinate is a member of quinolines.

CAS Number13997-19-8
PubChem CID26383
IUPAC Namemethyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
Molecular FormulaC22H23NO4
Molecular Weight365.4
XLogP5
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity553
SMILES
CCCCC1=CC2=C(C=C1OCC3=CC=CC=C3)NC=C(C2=O)C(=O)OC
InChI
InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
InChIKey
NNOPDLNHPOLRRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nequinate
CAS: 13997-19-8
CID: 26383
Formula: C22H23NO4
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass365.16270821
Monoisotopic Mass365.16270821
Topological Polar Surface Area64.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity553
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
CS-W-00135Nequinate
HY-116433RNequinate (Standard)
TRC-N389932-25MGNequinate-D7

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