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6-Iodonordihydrocapsaicin

CAT: 0607-B5245-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B5245-5Size:5 mg
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Description
Vanilloid receptor antagonist
CAS Number
859171-97-4
Product Name Alternative
N-(4-hydroxy-2-iodo-5-methoxybenzyl)nonanamide
Field of Research
Membrane Transporter Ion Channel TRP Channel
Purity
0.98
Form
White solid
Solubility
<20.96mg/ml in ethanol; <41.93mg/ml in DMSO
Smiles
IC(C=C1O)=C(C=C1OC)CNC(CCCCCCCC)=O
Molecular Formula
C17H26INO3
Molecular Weight
419.3
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

6-Iodonordihydrocapsaicin

N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide is a member of phenols and a member of methoxybenzenes.

CAS Number859171-97-4
PubChem CID5149140
IUPAC NameN-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide
Molecular FormulaC17H26INO3
Molecular Weight419.3
XLogP4.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity314
SMILES
CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC
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)
InChIKey
AAORACFZMYMFCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Iodonordihydrocapsaicin
CAS: 859171-97-4
CID: 5149140
Formula: C17H26INO3
MW: 419.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.3
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass419.09574
Monoisotopic Mass419.09574
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity314
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

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