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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

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 Formula	C₁₅H₂₂ClNO₂
Molecular Weight	283.79 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	40.5
Heavy Atom Count	19
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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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