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Nepinalone

CAT: 0931-T60473-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60473-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22443-11-4
Target
Others
Related Pathways
Others
Bioactivity
Nepinalone is an alchilaminate derivative of β-tetralone. Nepinalone is an orally active cough suppressant that possesses a non-opioid antitussive activity [1].
Smiles
C(CN1CCCCC1)C2(C)C=3C(CCC2=O)=CC=CC3
Molecular Formula
C18H25NO
Molecular Weight
271.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nepinalone

Nepinalone is a member of tetralins.

CAS Number22443-11-4
PubChem CID3047788
IUPAC Name1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one
Molecular FormulaC18H25NO
Molecular Weight271.4
XLogP3.2
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity347
SMILES
CC1(C(=O)CCC2=CC=CC=C21)CCN3CCCCC3
InChI
InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKey
RVXGRCNWGOHSDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nepinalone
CAS: 22443-11-4
CID: 3047788
Formula: C18H25NO
MW: 271.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass271.193614421
Monoisotopic Mass271.193614421
Topological Polar Surface Area20.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19188000-01Nepinalone
HY-106873A-01Nepinalone (hydrochloride)
MBS5785567Nepinalone hydrochloride

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