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Davasaicin

CAT: 0804-HY-117891Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117891Size:1 Each
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Description
Davasaicin (KR 25018), Capsaicin derivative, is an orally active analgesic agent[1].
CAS Number
147497-64-1
Product Name Alternative
KR 25018
UNSPSC
12352005
Target
TRP Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/davasaicin.html
Smiles
O=C(CC1=CC=C(C(OC)=C1)OCCN)NCCCC2=CC=C(C)C(C)=C2
Molecular Formula
C22H30N2O3
Molecular Weight
370.49
References & Citations
[1]Buyean Lee, et al. KR-25018: A novel, orally active analgesic with non-narcotic properties. Research Articles. Archives of Pharmacal Research. Volume 17, pages 304-308, (1994) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Davasaicin

Davasaicin is a small molecule drug. Davasaicin has a monoisotopic molecular weight of 370.23 Da.

CAS Number147497-64-1
PubChem CID177287
IUPAC Name2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
Molecular FormulaC22H30N2O3
Molecular Weight370.5
XLogP3.2
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity432
SMILES
CC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2)OCCN)OC)C
InChI
InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)
InChIKey
VVMIHZHLNJMAQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Davasaicin
CAS: 147497-64-1
CID: 177287
Formula: C22H30N2O3
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass370.22564282
Monoisotopic Mass370.22564282
Topological Polar Surface Area73.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity432
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
T31210Davasaicin

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