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859171-97-4 | 6-Iodonordihydrocapsaicin
CAS No: 859171-97-4 Catalog No: AG004MT4 MDL No:
Product Description
Catalog Number:
AG004MT4
Chemical Name:
6-Iodonordihydrocapsaicin
CAS Number:
859171-97-4
Molecular Formula:
C17H26INO3
Molecular Weight:
419.2977
IUPAC Name:
N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide
InChI:
InChI=1S/C17H26INO3/c1-3-4-5-6-7-8-9-17(21)19-12-13-10-16(22-2)15(20)11-14(13)18/h10-11,20H,3-9,12H2,1-2H3,(H,19,21)
InChI Key:
AAORACFZMYMFCG-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)NCc1cc(OC)c(cc1I)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.303g/mol
Monoisotopic Mass:
419.096g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Halogenation of 4-hydroxy/amino-3-methoxyphenyl acetamide TRPV1 agonists showed enhanced antagonism to capsaicin. | Bioorganic & medicinal chemistry 20101115 |
| Halogenation of 4-hydroxy-3-methoxybenzyl thiourea TRPV1 agonists showed enhanced antagonism to capsaicin. | Bioorganic & medicinal chemistry letters 20070101 |
| The taming of capsaicin. Reversal of the vanilloid activity of N-acylvanillamines by aromatic iodination. | Journal of medicinal chemistry 20050714 |
| Vanilloid receptor TRPV1 antagonists as the next generation of painkillers. Are we putting the cart before the horse? | Journal of medicinal chemistry 20040520 |
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