Anileridine Phosphate

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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

Anileridine Phosphate

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 Formula	C₂₂H₃₁N₂O₆P
Molecular Weight	450.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	450.19197371 g/mol
Monoisotopic Mass	450.19197371 g/mol
Topological Polar Surface Area	133 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	481
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