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Technical details about Nepinalone, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Nepinalone [inn], 22443-11-4, L9806lpr7g, Nepinalone (inn), Unii-l9806lpr7g, Nepinalone [mart.]
Molecular Formula
C18H25NO
Molecular Weight
271.4  g/mol
InChI Key
RVXGRCNWGOHSDE-UHFFFAOYSA-N
FDA UNII
L9806LPR7G

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one
2.1.2 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
2.1.3 InChI Key
RVXGRCNWGOHSDE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(C(=O)CCC2=CC=CC=C21)CCN3CCCCC3
2.2 Other Identifiers
2.2.1 UNII
L9806LPR7G
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Nepinalone [inn]

2. 22443-11-4

3. L9806lpr7g

4. Nepinalone (inn)

5. Unii-l9806lpr7g

6. Nepinalone [mart.]

7. Nepinalone [who-dd]

8. Schembl1740706

9. Chembl2105148

10. Dtxsid60865051

11. Chebi:135121

12. Db13445

13. Hy-106873

14. Cs-0026802

15. D07396

16. Q6687842

17. (+-)-3,4-dihydro-1-methyl-1-(2-piperidinoethyl)-2(1h)-naphthalenone

18. (- )-3,4-dihydro-1-methyl-1-(2-piperidinoethyl)-2(1h)-naphthalenone.

19. 1-methyl-1-[2-(piperidin-1-yl)ethyl]-3,4-dihydronaphthalen-2(1h)-one

20. (+/-)-3,4-dihydro-1-methyl-1-(2-piperidinoethyl)-2(1h)-naphthalenone

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 271.4 g/mol
Molecular Formula C18H25NO
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass271.193614421 g/mol
Monoisotopic Mass271.193614421 g/mol
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
4 Pharmacology and Biochemistry
4.1 ATC Code

R - Respiratory system

R05 - Cough and cold preparations

R05D - Cough suppressants, excl. combinations with expectorants

R05DB - Other cough suppressants

R05DB26 - Nepinalone


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