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CAS 1246616-73-8 manufacturers and suppliers on PharmaCompass

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CAS 1246616-73-8
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 Weight 294.26 g/mol
Molecular Formula C13H14N2O6
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass294.08518617 g/mol
Monoisotopic Mass294.08518617 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Dolutegravir Sodium
"The Company’s product portfolio includes a wide range of products such as Acetyl Intermediates, Specia...
"The Company’s product portfolio includes a wide range of products such as Acetyl Intermediates, Speciality Intermediates, and Fluorine Intermediates. These products serve diverse applications, spanning industries from pharmaceuticals to packaging and extending to agrochemicals, along with paints, coatings, and dyes. With local presence in Europe and China, the Company has a strong presence in the international markets.
Since its inception, the company has maintained a constant focus on quality, innovation, sustainability, customer centricity which has enabled it to become a reliable partner for its customers.
Laxmi Organic

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41051-15-4
Dolutegravir Sodium
"The Company’s product portfolio includes a wide range of products such as Acetyl Intermediates, Specia...
"The Company’s product portfolio includes a wide range of products such as Acetyl Intermediates, Speciality Intermediates, and Fluorine Intermediates. These products serve diverse applications, spanning industries from pharmaceuticals to packaging and extending to agrochemicals, along with paints, coatings, and dyes. With local presence in Europe and China, the Company has a strong presence in the international markets.
Since its inception, the company has maintained a constant focus on quality, innovation, sustainability, customer centricity which has enabled it to become a reliable partner for its customers.
Laxmi Organic

IPS 2024

Not Confirmed

envelop Contact Supplier
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