Almelo

QBJPWCRXDNYWTK-UHFFFAOYSA-N

Chemistry, 2 End Use API, 36 Related Intermediates

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2 Suppliers

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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

QBJPWCRXDNYWTK-UHFFFAOYSA-N

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 Formula	C₂₀H₂₃NO₈
Molecular Weight	405.4 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Exact Mass	405.14236669 g/mol
Monoisotopic Mass	405.14236669 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	674
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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CAS Number

CAS-1335210-34-8

End Use API

Dolutegravir Sodium

About the Company

Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredient...

Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled with innovative R&D, Almelo boasts of having various reputed domestic and multi-national companies as its customers.

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