CAS 106685-41-0

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: 106685-41-0, Adapalene methyl ester, Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoate, Mehtyl 6-[3-(1-adamanty)-4-methoxy phenyl]-2-naphthoate, Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate, W05xv3tpp3

Molecular Formula

C₂₉H₃₀O₃

Molecular Weight

426.5 g/mol

InChI Key

PGXNMQBGOVUZNC-UHFFFAOYSA-N

FDA UNII

W05XV3TPP3

1 2D Structure

CAS 106685-41-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate

2.1.2 InChI

InChI=1S/C29H30O3/c1-31-27-8-7-24(14-26(27)29-15-18-9-19(16-29)11-20(10-18)17-29)22-3-4-23-13-25(28(30)32-2)6-5-21(23)12-22/h3-8,12-14,18-20H,9-11,15-17H2,1-2H3

2.1.3 InChI Key

PGXNMQBGOVUZNC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

2.2 Other Identifiers

2.2.1 UNII

W05XV3TPP3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 106685-41-0

2. Adapalene Methyl Ester

3. Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoate

4. Mehtyl 6-[3-(1-adamanty)-4-methoxy Phenyl]-2-naphthoate

5. Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate

6. W05xv3tpp3

7. Adapalene Related Compound B [usp-rs]

8. Methyl 6-(3-(1-adamantyl)-4-methoxyphenyl)-2-naphthoate

9. Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoate (adapalene Methyl Ester)

10. Unii-w05xv3tpp3

11. Adapalene Related Compound B

12. Adapalene Methyl Ester-[d6]

13. Schembl641921

14. Dtxsid00441277

15. Adapalene Related Compound B [usp]

16. Fd7378

17. Mfcd08063923

18. Zinc21992379

19. Akos015851510

20. Akos015895357

21. Ac-3392

22. As-16094

23. Db-040697

24. Cs-0150365

25. Ft-0642627

26. J3.522.343f

27. C71262

28. 685m410

29. A801484

30. Adapalene Related Compound B [usp Impurity]

31. Q-101320

32. Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]-2naphthoate

33. Methyl 6-[3-(1-adamanty)-4-methoxy Phenyl]-2-naphthoate

34. Methyl6-(3-(adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate

35. Methyl 3-o-(n-acetyl-?-d-glucosaminyl)-?-d-galactopyranoside

36. 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic Acid Methyl Ester

37. Methyl 6-(4-methoxy-3-tricyclo(3.3.1.13,7)dec-1-ylphenyl)-2-naphthalenecarboxylate

38. Methyl 6-[4-methoxy-3-(tricyclo[3.3.1.1~3,7~]decan-1-yl)phenyl]naphthalene-2-carboxylate

39. 2-naphthalenecarboxylic Acid, 6-(4-methoxy-3-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl)-, Methyl Ester

40. 2-naphthalenecarboxylic Acid, 6-(4-methoxy-3-tricyclo(3.3.1.13,7)dec-1-ylphenyl)-, Methyl Ester

41. Methyl 6-(4-methoxy-3-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl)-2-naphthalenecarboxylate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₀O₃
Molecular Weight	426.5 g/mol
XLogP3	8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	426.21949481 g/mol
Monoisotopic Mass	426.21949481 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	659
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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Beijing Mesochem Technology

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2-(1-Adamantyl)-4-bromo-anisole

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CAS Number

CAS-104224-63-7

End Use API

Adapalene

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Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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Methyl-6-bromo-2-naphthoate

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CAS Number

33626-98-1

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Adapalene

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Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

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6-Bromo-2-Methynaphthoate

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CAS Number

33626-98-1

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Adapalene

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ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation ...

ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation to clinical studies. We also provide support for Fine chemicals, APIs and API Intermediates, custom synthesis, reference standards, impurity synthesis, small library synthesis and process development & committed to deliver on time. We are strongly committed on client satisfaction, quality, safety, ethics and integrity. Our ability to deliver significant value to our customers by leveraging our scientific skills, global mind set and cost competitiveness differentiates us as one of the most trusted partners.

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