Jinan Lead Pharmaceutical Technology | CAS 1206102-11-5 | Related Intermediates | Manufacturers & Suppliers

CAS 1206102-11-5

Chemistry, 1 End Use API, 96 Related Intermediates

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Also known as: 1206102-11-5, (4r,12as)-7-(benzyloxy)-n-(2,4-difluorobenzyl)-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-carboxamide, Dolutegravir o-benzyl impurity, Sj4gz8739l, (3s,7r)-n-[(2,4-difluorophenyl)methyl]-7-methyl-9,12-dioxo-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide, (4r,12as)-7-(benzyloxy)-n-(2,4-difluorobenzyl)-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

Molecular Formula

C₂₇H₂₅F₂N₃O₅

Molecular Weight

509.5 g/mol

InChI Key

RWEIORQEUUWOLH-ZHRRBRCNSA-N

FDA UNII

SJ4GZ8739L

1 2D Structure

CAS 1206102-11-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S,7R)-N-[(2,4-difluorophenyl)methyl]-7-methyl-9,12-dioxo-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

2.1.2 InChI

InChI=1S/C27H25F2N3O5/c1-16-9-10-36-22-14-31-13-20(26(34)30-12-18-7-8-19(28)11-21(18)29)24(33)25(23(31)27(35)32(16)22)37-15-17-5-3-2-4-6-17/h2-8,11,13,16,22H,9-10,12,14-15H2,1H3,(H,30,34)/t16-,22+/m1/s1

2.1.3 InChI Key

RWEIORQEUUWOLH-ZHRRBRCNSA-N

2.1.4 Canonical SMILES

CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)OCC5=CC=CC=C5

2.1.5 Isomeric SMILES

C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)OCC5=CC=CC=C5

2.2 Other Identifiers

2.2.1 UNII

SJ4GZ8739L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1206102-11-5

2. (4r,12as)-7-(benzyloxy)-n-(2,4-difluorobenzyl)-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-carboxamide

3. Dolutegravir O-benzyl Impurity

4. Sj4gz8739l

5. (3s,7r)-n-[(2,4-difluorophenyl)methyl]-7-methyl-9,12-dioxo-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

6. (4r,12as)-7-(benzyloxy)-n-(2,4-difluorobenzyl)-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

7. (4r,12as)-n-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2h-pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide

8. 2h-pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide, N-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-, (4r,12as)-

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

10. (4r,12as)-n-(2,4-difluorobenzyl)-7-benzylhydroxy-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

11. Unii-sj4gz8739l

12. (4r,12as)-n-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethox

13. Schembl2302444

14. Mfcd22741602

15. Akos027323537

16. Zinc118591738

17. Ac-28372

18. Ds-11349

19. Cs-0158235

20. F11519

21. A852332

22. (4r,12as)-7-(benzyloxy)-n-(2,4-difluorobenzyl)-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-

23. (4r,12as)-n-(2,4-difluorobenzyl)-7-benzylhydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2'

24. (4r,9as)-5-benzyloxy-n-(2,4-difluorobenzyl)-3,4,6,9,9a,10-hexahydro-4-methyl-6,10-dioxo-2h-1-oxa-4a,8a-diazaanthracene-7-carboxamide

2.4 Create Date

2012-11-05

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₅F₂N₃O₅
Molecular Weight	509.5 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	88.2
Heavy Atom Count	37
Formal Charge	0
Complexity	979
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

CAS-42288-26-6

End Use API

Dabigatran Etexilate Mesylate

About the Company

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.

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