CAS 84793-24-8

Chemistry, 2 End Use API, 3 Related Intermediates

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Also known as: 84793-24-8, Ethyl (2s)-2-[(4s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate, N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-l-alanine-n-carboxyanhydride, Nq2zf6yuh8, N-[1-(s)-(+)-ethoxycarbonyl-3-phenylpropyl]-l-alanyl carboxyanhydride, Ethyl (s)-2-[(s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

Molecular Formula

C₁₆H₁₉NO₅

Molecular Weight

305.32 g/mol

InChI Key

GFZFELCFSBCPDB-AAEUAGOBSA-N

FDA UNII

NQ2ZF6YUH8

1 2D Structure

CAS 84793-24-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate

2.1.2 InChI

InChI=1S/C16H19NO5/c1-3-21-15(19)13(10-9-12-7-5-4-6-8-12)17-11(2)14(18)22-16(17)20/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1

2.1.3 InChI Key

GFZFELCFSBCPDB-AAEUAGOBSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2C(C(=O)OC2=O)C

2.1.5 Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)OC2=O)C

2.2 Other Identifiers

2.2.1 UNII

NQ2ZF6YUH8

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 84793-24-8

2. Ethyl (2s)-2-[(4s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate

3. N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-l-alanine-n-carboxyanhydride

4. Nq2zf6yuh8

5. N-[1-(s)-(+)-ethoxycarbonyl-3-phenylpropyl]-l-alanyl Carboxyanhydride

6. Ethyl (s)-2-[(s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

7. Ethyl (s)-2-[(s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutyrate

8. N-[1-(s)-(ethoxycarbony1)-3-phenylpropyl]-l-alanine-n-carboxyanhydride

9. Ethyl (s)-2-((s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutyrate

10. N-(1(s)-ethoxycarbonyl-3-phenylpropyl)-l-alanine N-carboxyanhydride

11. Mfcd00272296

12. Ethyl (2s)-2-((4s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanoate

13. Unii-nq2zf6yuh8

14. Ec 430-360-8

15. Schembl1998125

16. Dtxsid10432893

17. N-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-l-alanyl-n-carboxyanhydride

18. Akos015920229

19. Zinc100009575

20. Cs-w012094

21. Ac-17998

22. As-72504

23. E1423

24. F11553

25. 793e248

26. A840927

27. J-520479

28. N-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-1-alanyl-carboxyanhydride

29. Ethyl(s)-2-[(s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

30. N-[1-(s)-(ethoxycarbony1)-3-phenylpropyl]-l-alanine-ncarboxyanhydride

31. (2s)-2-[(4s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoic Acid Ethyl Ester

32. N-((s)-1-ethoxycarbonyl-3-phenylpropyl)-l-alanine-n-carboxylic Anhydride

33. N-[1-(s)-(+)-ethoxycarbonyl-3-phenylpropyl]-l-alanyl Carboxyanhydride, 97%

34. N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-n-carboxy-l-alanine Anhydride (nepa-nca)

35. N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-n-carboxy-l-alanine Anhydride(nepa-nca)

36. 3-oxazolidineacetic Acid, 4-methyl-2,5-dioxo-.alpha.-(2-phenylethyl)-, Ethyl Ester, (.alpha.s,4s)-

37. Ethyl (.alpha.s,4s)-4-methyl-2,5-dioxo-.alpha.-(2-phenylethyl)-3-oxazolidineacetate

38. Ethyl (2s)-2-[(4s)-4-methyl-2,5-bis(oxidanylidene)-1,3-oxazolidin-3-yl]-4-phenyl-butanoate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₉NO₅
Molecular Weight	305.32 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	305.12632271 g/mol
Monoisotopic Mass	305.12632271 g/mol
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	430
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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PMC Isochem

PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

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CAS Number

84793-24-8

End Use API

Enalapril Maleate

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.

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N-[1-(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanine N-car...

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CAS Number

84793-24-8

End Use API

Enalapril Maleate

About the Company

Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was succe...

Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceuticals, a large scaled modern pharmaceutical group that integrates fomulations, APIs(Active Pharmaceutical Ingredients) and intermediates, is developing both domestic and international markets, and performing parallel development of science, industry and commerce. With a total asset of 1,900 million yuan, the company has 11branches (subsidiaries) in the United States, Shanghai, Hangzhou, and Linhai.

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