Octanex Labs | CAS 1246616-73-8 | Related Intermediates | Manufacturers & Suppliers

CAS 1246616-73-8

Chemistry, 1 End Use API, 37 Related Intermediates

Manufacturers/Suppliers

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Also known as: 1246616-73-8, (4r,12as)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid, Schembl81652, Amy30023, Zinc113072889, F11520

Molecular Formula

C₁₃H₁₄N₂O₆

Molecular Weight

294.26 g/mol

InChI Key

KVXRWTBFPVMIGC-SVRRBLITSA-N

1 2D Structure

CAS 1246616-73-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S,7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid

2.1.2 InChI

InChI=1S/C13H14N2O6/c1-6-2-3-21-8-5-14-4-7(13(19)20)10(16)11(17)9(14)12(18)15(6)8/h4,6,8,17H,2-3,5H2,1H3,(H,19,20)/t6-,8+/m1/s1

2.1.3 InChI Key

KVXRWTBFPVMIGC-SVRRBLITSA-N

2.1.4 Canonical SMILES

CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)O

2.1.5 Isomeric SMILES

C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1246616-73-8

2. (4r,12as)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic Acid

3. Schembl81652

4. Amy30023

5. Zinc113072889

6. F11520

7. (4r,12as)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylicacid

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄N₂O₆
Molecular Weight	294.26 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	294.08518617 g/mol
Monoisotopic Mass	294.08518617 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	608
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

1335210-23-5

End Use API

Dolutegravir Sodium

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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