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(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide | CAS No. 1051375-16-6

(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide

Basic Information

Chemical_Structure_Of
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CAS Number

1051375-16-6

Molecular Formula

C20H19F2N3O5

Molecular Weight

419.38 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

669.0±55.0°C at 760 mmHg

SMILES

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C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12

InChI

InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

InChIKey

RHWKPHLQXYSBKR-BMIGLBTASA-N

LogP

1.3528

Topological Polar Surface Area

100.86999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • GSK1349572
  • (4R,12aS)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazine-9-carboxamide
  • Dolutegravir
  • Dolutegravir (GSK1349572)
  • Dolutegravir-D5
  • GSK-1349572
  • Tivicay
  • (4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
  • Dolutegravi
  • Dolutegravir API
  • Dolutegravir free acid
  • GSK1349572(dolutegravir)
  • GSK1349572 (GSK1349572)
  • Dolutegravir Impurity 1
  • (4R,12aS)-N-(2,4-difluorobenzyl)-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-carboxamide

MDL Number

MFCD20488027

FAQ

What is (4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide (CAS: 1051375-16-6)?
This compound, with CAS number 1051375-16-6, is a complex organic molecule containing a pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine ring system. It features hydroxyl, methyl, and amide functional groups, and its molecular structure includes fluorine atoms. Known for its stability and specific reactivity, it is primarily used in specialized chemical research and pharmaceutical development due to its potential biological activity.

What are the main uses of (4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide (CAS: 1051375-16-6)?
The compound (CAS: 1051375-16-6) is mainly utilized in pharmaceutical research as a potential inhibitor or therapeutic agent. Its unique structure may also find applications in organic synthesis and materials science, though specific industrial or commercial uses are not widely documented. Researchers often use it in drug discovery and chemical development due to its complex functional groups and ring systems.

Is (4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide (CAS: 1051375-16-6) safe?
Safety data for this compound (CAS: 1051375-16-6) is limited, but general handling precautions suggest it may have moderate toxicity. Protective measures like gloves, goggles, and proper ventilation are recommended. Always follow established safety standards and consult regulatory guidelines (e.g., OSHA, EPA) for safe usage and disposal practices.

How should (4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide (CAS: 1051375-16-6) be stored?
This compound (CAS: 1051375-16-6) should be stored in a cool, dry, and dark location to maintain stability. Keep it in sealed, airtight containers to prevent moisture exposure. Avoid extreme temperatures and ensure proper ventilation. Storage conditions should be controlled to preserve its chemical integrity and prevent degradation.

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(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide — Shenzen Excellero Biotechnology Co., Ltd.

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(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide — HuBeiMoDe Chemical Co Ltd

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(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide — Shanghai Yuyeh Biotechnology Co., Ltd.

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(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide — ShangHaiJiZhiShengHua Technology Co Ltd

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(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide — Hubei Dahao Chemical Co., Ltd.

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(4R,12aS)-N-(2,4-Difluorobenzyl)-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-carboxamide — Shanghai Jixiang Biotechnology Co., Ltd.

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