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2D Structure
Also known as: Leritine phosphate, Leritine, 1976-75-6, 4268-37-5, 3584484n8v, Ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate;phosphoric acid
Molecular Formula
C22H31N2O6P
Molecular Weight
450.5  g/mol
InChI Key
FLQCEKVTYABVSH-UHFFFAOYSA-N
FDA UNII
3584484N8V

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate;phosphoric acid
2.1.2 InChI
InChI=1S/C22H28N2O2.H3O4P/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18;1-5(2,3)4/h3-11H,2,12-17,23H2,1H3;(H3,1,2,3,4)
2.1.3 InChI Key
FLQCEKVTYABVSH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3.OP(=O)(O)O
2.2 Other Identifiers
2.2.1 UNII
3584484N8V
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Anileridine

2. Anileridine Dihydrochloride

3. Anileridine Hydrochloride

4. Anileridine Monohydrochloride

5. Anileridine Phosphate (1:1)

2.3.2 Depositor-Supplied Synonyms

1. Leritine Phosphate

2. Leritine

3. 1976-75-6

4. 4268-37-5

5. 3584484n8v

6. Ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate;phosphoric Acid

7. Unii-3584484n8v

8. Schembl1237724

9. Chembl1200543

10. Dtxsid801027378

11. Anileridine Phosphate [mart.]

12. Anileridine Phosphate [who-dd]

13. Anileridine Phosphate [orange Book]

14. Q27256441

2.4 Create Date
2007-05-07
3 Chemical and Physical Properties
Molecular Weight 450.5 g/mol
Molecular Formula C22H31N2O6P
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass450.19197371 g/mol
Monoisotopic Mass450.19197371 g/mol
Topological Polar Surface Area133 Ų
Heavy Atom Count31
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2