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Nepinalone (hydrochloride)

CAT: 0804-HY-106873A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106873A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nepinalone hydrochloride, an alchilaminate derivative of β-tetralone and an orally active cough suppressant, possesses a non-opioid antitussive activity[1].
CAS Number
22443-55-6
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/nepinalone-hydrochloride.html
Purity
99.59
Solubility
DMSO : 250 mg/mL (ultrasonic) |H2O : 50 mg/mL (ultrasonic)
Smiles
[H]Cl.CC1(C2=CC=CC=C2CCC1=O)CCN3CCCCC3
Molecular Formula
C18H26ClNO
Molecular Weight
307.86
References & Citations
[1]Braga, et al. AZIONE ANTITOSSE DEGLI ISOMERI LEVO E DESTRO DELL NEPINALONE NEI CONFRONTI DEL RACEMO NELLA CAVIA STIMOLATA CON ACIDO CITRICO. GIMT - Giornale Italiano delle Malattie del Torace, 47 (1-2), 17-22.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Nepinalone hydrochloride
CAS Number22443-55-6
PubChem CID21742207
IUPAC Name1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one;hydrochloride
Molecular FormulaC18H26ClNO
Molecular Weight307.9
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
CC1(C(=O)CCC2=CC=CC=C21)CCN3CCCCC3.Cl
InChI
InChI=1S/C18H25NO.ClH/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;1H
InChIKey
DWXUSWVHSCQVTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nepinalone hydrochloride
CAS: 22443-55-6
CID: 21742207
Formula: C18H26ClNO
MW: 307.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass307.1702921
Monoisotopic Mass307.1702921
Topological Polar Surface Area20.3 Ų
Heavy Atom Count21
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 Count2
Compound Is CanonicalizedYes

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