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2D Structure
Also known as: Promedol hydrochloride, 125-80-4, 4-piperidinol, 1,2,5-trimethyl-4-phenyl-, propanoate (ester), hydrochloride, Promedolum, (1,2,5-trimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride, Dea no. 9646
Molecular Formula
C17H26ClNO2
Molecular Weight
311.8  g/mol
InChI Key
USGVEUCDHRWIRO-UHFFFAOYSA-N

A narcotic analgesic similar to MEPERIDINE; it exists in four stereoisomers, two of which, the beta (isopromedol) and the gamma (trimeperidine) are active.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1,2,5-trimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
2.1.2 InChI
InChI=1S/C17H25NO2.ClH/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2;/h6-10,13-14H,5,11-12H2,1-4H3;1H
2.1.3 InChI Key
USGVEUCDHRWIRO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)OC1(CC(N(CC1C)C)C)C2=CC=CC=C2.Cl
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Isopromedol

2. Promedol

3. Trimeperidine

2.2.2 Depositor-Supplied Synonyms

1. Promedol Hydrochloride

2. 125-80-4

3. 4-piperidinol, 1,2,5-trimethyl-4-phenyl-, Propanoate (ester), Hydrochloride

4. Promedolum

5. (1,2,5-trimethyl-4-phenylpiperidin-4-yl) Propanoate;hydrochloride

6. Dea No. 9646

7. Dtxsid90924988

8. 1,2,5-trimethyl-4-phenyl-4-piperidinol Propanoate (ester), Hydrochloride

9. Ft-0675604

10. 1,2,5-trimethyl-4-phenylpiperidin-4-yl Propanoate--hydrogen Chloride (1/1)

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 311.8 g/mol
Molecular Formula C17H26ClNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass311.1652068 g/mol
Monoisotopic Mass311.1652068 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

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.)


Narcotics

Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS. (See all compounds classified as Narcotics.)