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ACA 10mM * 1mL in DMSO

CAT: 0628-A13585-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No
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CAT#:0628-A13585-10mM-DSize:10 mM x 1mL in DMSO
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CAS Number
110683-10-8

Chemical Information

N-(p-Amylcinnamoyl)anthranilic acid

N-(p-amylcinnamoyl)anthranilic acid is an amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 4-pentylcinnamoyl group. It is a transient receptor potential (TRP) channel blocker and phospholipase A2 (PLA2) inhibitor. It has a role as a TRP channel blocker and an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a secondary carboxamide, a member of cinnamamides and an amidobenzoic acid.

CAS Number110683-10-8
PubChem CID5353376
IUPAC Name2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
Molecular FormulaC21H23NO3
Molecular Weight337.4
XLogP6.4
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity452
SMILES
CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
InChIKey
GAMRBCZMOOMBSQ-CCEZHUSRSA-N
Chemical Structure
2D Structure
2D structure of N-(p-Amylcinnamoyl)anthranilic acid
CAS: 110683-10-8
CID: 5353376
Formula: C21H23NO3
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass337.16779360
Monoisotopic Mass337.16779360
Topological Polar Surface Area66.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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