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Chemistry

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Also known as: Ketobemidone hcl, 5965-49-1, U9u6ltv80k, Cliradon hydrochloride, Ketobimedon hydrochloride, Einecs 227-749-8
Molecular Formula
C15H22ClNO2
Molecular Weight
283.79  g/mol
InChI Key
HYDFAZFVKRXNJX-UHFFFAOYSA-N
FDA UNII
U9U6LTV80K

Ketobemidone Hydrochloride
1 2D Structure

Ketobemidone Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;hydrochloride
2.1.2 InChI
InChI=1S/C15H21NO2.ClH/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12;/h4-6,11,17H,3,7-10H2,1-2H3;1H
2.1.3 InChI Key
HYDFAZFVKRXNJX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O.Cl
2.2 Other Identifiers
2.2.1 UNII
U9U6LTV80K
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)-1-propanone

2. Cetobemidon

3. Ketobemidone

2.3.2 Depositor-Supplied Synonyms

1. Ketobemidone Hcl

2. 5965-49-1

3. U9u6ltv80k

4. Cliradon Hydrochloride

5. Ketobimedon Hydrochloride

6. Einecs 227-749-8

7. Unii-u9u6ltv80k

8. Ketogan (tn)

9. 1-methyl-4-(m-hydroxyphenyl)piperidine-4-ethylketone Hydrochloride

10. Schembl9706814

11. Dtxsid00208327

12. Win-1539

13. 1-propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)-, Hydrochloride

14. Ketobemidone Hydrochloride [mi]

15. Ketobemidone Hydrochloride [mart.]

16. Ketobemidone Hydrochloride [who-dd]

17. Ns00082669

18. D08101

19. Ketobemidone Hydrochloride [ep Monograph]

20. Q27290974

21. 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)-1-propanone Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 283.79 g/mol
Molecular Formula C15H22ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area40.5
Heavy Atom Count19
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Excitatory Amino Acid Antagonists

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists. (See all compounds classified as Excitatory Amino Acid Antagonists.)


Analgesics, Opioid

Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)


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