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DA 5018

CAT: 0931-T23944-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23944-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
174661-97-3
Target
Others
Related Pathways
Others
Bioactivity
DA 5018 is a capsaicin derivative and is also a new non-narcotic analgesic. It has an antipruritic effect.
Smiles
Cl.O=C(NCCCC1=CC=C(C(=C1)C)C)CC2=CC=C(OCCN)C(OC)=C2
Molecular Formula
C22H31ClN2O3
Molecular Weight
406.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Capsavanil

structure given in first source

CAS Number174661-97-3
PubChem CID177286
IUPAC Name2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide;hydrochloride
Molecular FormulaC22H31ClN2O3
Molecular Weight406.9
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity432
SMILES
CC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2)OCCN)OC)C.Cl
InChI
InChI=1S/C22H30N2O3.ClH/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);1H
InChIKey
OUEKLNJUMVZULZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Capsavanil
CAS: 174661-97-3
CID: 177286
Formula: C22H31ClN2O3
MW: 406.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass406.2023205
Monoisotopic Mass406.2023205
Topological Polar Surface Area73.6 Ų
Heavy Atom Count28
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 Count2
Compound Is CanonicalizedYes

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