CAS 83972-01-4

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: 83972-01-4, Magnesium 4-nitrobenzyl malonate, 75321-09-4, Malonic acid mono-4-nitrobenzyl ester magnesium salt, Magnesium 3-((4-nitrobenzyl)oxy)-3-oxopropanoate, Magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate

Molecular Formula

C₂₀H₁₆MgN₂O₁₂

Molecular Weight

500.7 g/mol

InChI Key

WAFDWKYNSTVECG-UHFFFAOYSA-L

1 2D Structure

CAS 83972-01-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate

2.1.2 InChI

InChI=1S/2C10H9NO6.Mg/c2*12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16;/h2*1-4H,5-6H2,(H,12,13);/q;;+2/p-2

2.1.3 InChI Key

WAFDWKYNSTVECG-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1COC(=O)CC(=O)[O-])[N+](=O)[O-].[Mg+2]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 83972-01-4

2. Magnesium 4-nitrobenzyl Malonate

3. 75321-09-4

4. Malonic Acid Mono-4-nitrobenzyl Ester Magnesium Salt

5. Magnesium 3-((4-nitrobenzyl)oxy)-3-oxopropanoate

6. Magnesium;3-[(4-nitrophenyl)methoxy]-3-oxopropanoate

7. Magnesium P-nitrobenzyl Malonate

8. Magnesium 3-(4-nitrobenzyloxy)-3-oxopropanoate

9. Mfcd00060141

10. Einecs 281-602-2

11. Alpha-boswellicacid

12. Bis(p-nitrobenzyl Hydrogen Malonato)magnesium

13. Schembl1919596

14. Dtxsid601004245

15. Akos015839493

16. Akos015964396

17. Ac-1654

18. As-14796

19. Cs-0456113

20. Ft-0641560

21. Ft-0659825

22. M0938

23. D91407

24. Malonic Acid 4-nitrobenzyl Ester Magnesium Salt

25. Malonic Acid P-nitrobenzyl Ester Magnesium Salt

26. A840695

27. A848072

28. Bis[malonic Acid 1-(p-nitrobenzyl)]magnesium Salt

29. W-104127

30. Magnesium 3-[(4-nitrophenyl)methoxy]-3-oxopropanoate

31. Magnesium Bis{3-[(4-nitrophenyl)methoxy]-3-oxopropanoate}

32. Magnesium 3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-propanoate

33. 105995-50-4

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₆MgN₂O₁₂
Molecular Weight	500.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	500.0553656 g/mol
Monoisotopic Mass	500.0553656 g/mol
Topological Polar Surface Area	225 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	297
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	3

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Mg salt of Mono 4-Nitrobenzyl Malonate

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CAS Number

83972-01-4

End Use API

Meropenem

About the Company

Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermed...

Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermediates to its customers worldwide. SCL’s products are exported to Europe, Japan, Russia, South and Central America, ASEAN, W. Asia, MENA regions. SCL’s manufacturing facilities have been built to comply with EU GMP and U.S. FDA norms, and the API facility has been successfully certified as EU GMP compliant five times by the European Authorities. Latest certification was carried out by German Health Authority.

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