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CAS 1357289-08-7 manufacturers and suppliers on PharmaCompass

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CAS 1357289-08-7
Also known as: 1357289-08-7, Dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyet hyl)-4-oxo-1,4-dihydropyridine-2, 5-dicarboxylate, Dimethyl3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate, Schembl18473879, Amy30046, Mfcd28978324
Molecular Formula
C20H23NO8
Molecular Weight
405.4  g/mol
InChI Key
QBJPWCRXDNYWTK-UHFFFAOYSA-N

1 2D Structure

CAS 1357289-08-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dimethyl 1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2,5-dicarboxylate
2.1.2 InChI
InChI=1S/C20H23NO8/c1-25-15(26-2)11-21-10-14(19(23)27-3)17(22)18(16(21)20(24)28-4)29-12-13-8-6-5-7-9-13/h5-10,15H,11-12H2,1-4H3
2.1.3 InChI Key
QBJPWCRXDNYWTK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(CN1C=C(C(=O)C(=C1C(=O)OC)OCC2=CC=CC=C2)C(=O)OC)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1357289-08-7

2. Dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyet Hyl)-4-oxo-1,4-dihydropyridine-2, 5-dicarboxylate

3. Dimethyl3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate

4. Schembl18473879

5. Amy30046

6. Mfcd28978324

7. Zinc199562713

8. Ac-30857

9. F11911

10. A906956

11. Dimethyl 1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2,5-dicarboxylate

12. 2,5-pyridinedicarboxylic Acid, 1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-, 2,5-dimethyl Ester

2.3 Create Date
2012-03-05
3 Chemical and Physical Properties
Molecular Weight 405.4 g/mol
Molecular Formula C20H23NO8
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass405.14236669 g/mol
Monoisotopic Mass405.14236669 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
61477-40-5
Dolutegravir Sodium
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.
Virupaksha

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