CAS 855300-09-3

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Also known as: 855300-09-3, 3'-(ethyl(methyl)carbamoyl)oxyacetophenone, (3-acetylphenyl) n-ethyl-n-methylcarbamate, Des [3-(1-dimethylamino)ethyl] 3-acetyl rivastigmine, 502lm1l59e, Carbamic acid, n-ethyl-n-methyl-, 3-acetylphenyl ester

Molecular Formula

C₁₂H₁₅NO₃

Molecular Weight

221.25 g/mol

InChI Key

ABNQSLSOFYAGHU-UHFFFAOYSA-N

FDA UNII

502LM1L59E

1 2D Structure

CAS 855300-09-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3-acetylphenyl) N-ethyl-N-methylcarbamate

2.1.2 InChI

InChI=1S/C12H15NO3/c1-4-13(3)12(15)16-11-7-5-6-10(8-11)9(2)14/h5-8H,4H2,1-3H3

2.1.3 InChI Key

ABNQSLSOFYAGHU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(C)C(=O)OC1=CC=CC(=C1)C(=O)C

2.2 Other Identifiers

2.2.1 UNII

502LM1L59E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 855300-09-3

2. 3'-(ethyl(methyl)carbamoyl)oxyacetophenone

3. (3-acetylphenyl) N-ethyl-n-methylcarbamate

4. Des [3-(1-dimethylamino)ethyl] 3-acetyl Rivastigmine

5. 502lm1l59e

6. Carbamic Acid, N-ethyl-n-methyl-, 3-acetylphenyl Ester

7. 3-acetylphenyl N-ethyl-n-methylcarbamate

8. Rivastigmine Impurity C [ep]

9. Unii-502lm1l59e

10. Carbamic Acid, Ethylmethyl-, 3-acetylphenyl Ester

11. Rivastigmine Hydrogen Tartrate Impurity C [ep]

12. Schembl8523557

13. Dtxsid60234728

14. 3-acetylphenylethyl(methyl)carbamate

15. Mfcd20257239

16. Akos022173313

17. Cs-w021827

18. Ds-7283

19. Db-365925

20. Rivastigmine Impurity C [ep Impurity]

21. 3-acetylphenyl Ethyl(methyl)-carbamate

22. J-511504

23. Q27260740

24. Rivastigmine Hydrogen Tartrate Impurity C [ep Impurity]

2.4 Create Date

2009-09-14

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅NO₃
Molecular Weight	221.25 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.6
Heavy Atom Count	16
Formal Charge	0
Complexity	265
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

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