CAS 61086-18-8

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Also known as: 61086-18-8, Norsufentanil, N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropanamide, N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropionamide, Io6g3l550q, N-(4-(methoxymethyl)piperidin-4-yl)-n-phenylpropionamide

Molecular Formula

C₁₆H₂₄N₂O₂

Molecular Weight

276.37 g/mol

InChI Key

ULOZGJWEIWAWML-UHFFFAOYSA-N

FDA UNII

IO6G3L550Q

1 2D Structure

CAS 61086-18-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

2.1.2 InChI

InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3

2.1.3 InChI Key

ULOZGJWEIWAWML-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)COC

2.2 Other Identifiers

2.2.1 UNII

IO6G3L550Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-mppp

2. N-(4-(methoxymethyl)-4-piperidinyl)-n-phenylpropanamide

3. Noralfentanil, (phenyl-3-t)-labeled Cpd

2.3.2 Depositor-Supplied Synonyms

1. 61086-18-8

2. Norsufentanil

3. N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropanamide

4. N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropionamide

5. Io6g3l550q

6. N-(4-(methoxymethyl)piperidin-4-yl)-n-phenylpropionamide

7. Unii-io6g3l550q

8. N-(4-(methoxymethyl)piperidin-4-yl)-n-phenylpropanamide

9. Einecs 262-598-1

10. N-[4-(methoxymethyl)-4-piperidinyl]-n-phenylpropanamide

11. Schembl3168327

12. Dtxsid90209964

13. Chebi:174649

14. Zinc5768112

15. Sufentanil Impurity A [ep Impurity]

16. R30451

17. R-30451

18. Sufentanil Citrate Impurity A [ep Impurity]

19. Q27280822

20. Alfentanil Hydrochloride Hydrate Impurity C [ep Impurity]

21. Propanamide, N-(4-(methoxymethyl)-4-piperidinyl)-n-phenyl-

22. 4-(n-(1-oxopropyl)-n-phenylamino)-4-(methoxymethyl)piperidine

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₄N₂O₂
Molecular Weight	276.37 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	276.183778013 g/mol
Monoisotopic Mass	276.183778013 g/mol
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	308
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	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

Noralfentanil is a known human metabolite of alfentanil.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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