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CAS 1229006-21-6

Chemistry, 1 End Use API, 96 Related Intermediates

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Also known as: 1229006-21-6, Methyl 3-(benzyloxy)-5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate, Methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylate, 2-pyridinecarboxylic acid, 5-[[[(2,4-difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-, methyl ester, 5-((((2,4-difluorophenyl)methyl)amino)carbonyl)-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester, Schembl1357439

Molecular Formula

C₂₆H₂₆F₂N₂O₇

Molecular Weight

516.5 g/mol

InChI Key

MKGWUEHHJABKDI-UHFFFAOYSA-N

1 2D Structure

CAS 1229006-21-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylate

2.1.2 InChI

InChI=1S/C26H26F2N2O7/c1-34-21(35-2)14-30-13-19(25(32)29-12-17-9-10-18(27)11-20(17)28)23(31)24(22(30)26(33)36-3)37-15-16-7-5-4-6-8-16/h4-11,13,21H,12,14-15H2,1-3H3,(H,29,32)

2.1.3 InChI Key

MKGWUEHHJABKDI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(CN1C=C(C(=O)C(=C1C(=O)OC)OCC2=CC=CC=C2)C(=O)NCC3=C(C=C(C=C3)F)F)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1229006-21-6

2. Methyl 3-(benzyloxy)-5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate

3. Methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-(2,2-dimethoxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylate

4. 2-pyridinecarboxylic Acid, 5-[[[(2,4-difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-, Methyl Ester

5. 5-((((2,4-difluorophenyl)methyl)amino)carbonyl)-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic Acid Methyl Ester

6. Schembl1357439

7. Amy30060

8. Mfcd29072795

9. Zinc115957855

10. Ds-19938

11. Cs-0188049

12. A910080

13. Methyl3-(benzyloxy)-5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate

2.3 Create Date

2010-11-29

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₆F₂N₂O₇
Molecular Weight	516.5 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	103
Heavy Atom Count	37
Formal Charge	0
Complexity	884
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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Dabigatran etexilate

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CAS Number

211915-06-9

End Use API

Dabigatran Etexilate Mesylate

About the Company

Hikal is an established provider of research services, active ingredients, intermediates and regulatory s...

Hikal is an established provider of research services, active ingredients, intermediates and regulatory starting materials under cGMP conditions to thePharmaceutical, Crop Protection and Specialty Chemicals industry. Our manufacturing facilities located in India have also been certified by the US FDA, TGA, PMDA & are ISO 9001:2008, ISO 14001, OHSAS 18001 certified and audited by global innovator, generic and biotech companies. We are a 'Responsible Care' certified company which values and respects the Intellectual property rights of our customers.Strengths: Custom Synthesis; Contract Manufacturing; Process Development, Scale-up expertise.

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