QBJPWCRXDNYWTK-UHFFFAOYSA-N

Chemistry, 2 End Use API, 38 Related Intermediates

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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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Guangdong Raffles PharmaTech Co Ltd

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CAS Number

1357289-08-7

End Use API

Dolutegravir Sodium

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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Ningbo Syntame Biotech

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DiMethyl 3-(benzyloxy)-1-(2,2-diMethoxyethyl)-4-oxo-1,4...

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CAS Number

1357289-08-7

End Use API

Dolutegravir Sodium

About the Company

Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...

Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.

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