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CAS 4803-74-1 manufacturers and suppliers on PharmaCompass

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CAS 4803-74-1
Also known as: 4803-74-1, 5,6-dimethoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1h-inden-1-one, (2e)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3h-inden-1-one, 5,6-dimethoxy-2-(4-pyridylmethylene)-1-indanone (donepezil impurity), 1h-inden-1-one,2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-, 5,6-dimethoxy-2-(4-pyridylmethylene)-1-indanone
Molecular Formula
C17H15NO3
Molecular Weight
281.30  g/mol
InChI Key
SUVQWDLUAIFZKM-NTUHNPAUSA-N

1 2D Structure

CAS 4803-74-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2E)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
2.1.2 InChI
InChI=1S/C17H15NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h3-7,9-10H,8H2,1-2H3/b13-7+
2.1.3 InChI Key
SUVQWDLUAIFZKM-NTUHNPAUSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=C1)CC(=CC3=CC=NC=C3)C2=O)OC
2.1.5 Isomeric SMILES
COC1=C(C=C2C(=C1)C/C(=C\C3=CC=NC=C3)/C2=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4803-74-1

2. 5,6-dimethoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1h-inden-1-one

3. (2e)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3h-inden-1-one

4. 5,6-dimethoxy-2-(4-pyridylmethylene)-1-indanone (donepezil Impurity)

5. 1h-inden-1-one,2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-

6. 5,6-dimethoxy-2-(4-pyridylmethylene)-1-indanone

7. Mfcd08458868

8. 5,6-dimethoxy-2-[(4-pyridyl)methylene]-1-indanone

9. 5,6-dimethoxy-2-[(4-pyridyl)methylene]indan-1-one

10. Dtxsid30468795

11. Act04783

12. Zinc22001732

13. Akos015889314

14. Ac-4723

15. As-12616

16. Cs-0150560

17. P16891

18. 803d741

19. Q-100520

20. 5,6-dimethoxy-2-(pyridine-4-yl)methylene-indan-1-o Ne

21. (2e)-5,6-dimethoxy-2,3-dihydro-2-(4-pyridinylmethylene)-1h-indene-1-one

22. (2e)-5,6-dimethoxy-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1h-inden-1-one

23. (e)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)- 2,3-dihydro-1h-inden-1-one

24. (e)-5,6-dimethoxy-2-(pyridin-4-ylmethylene)-2,3-dihydroinden-1-one;5,6-dimethoxy-2-(pyridin-4-ylmethylene)-2,3-dihydro-1h-inden-1-one

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 281.30 g/mol
Molecular Formula C17H15NO3
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass281.10519334 g/mol
Monoisotopic Mass281.10519334 g/mol
Topological Polar Surface Area48.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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