CAS 219921-94-5

Chemistry, 3 End Use API, 43 Related Intermediates

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Also known as: 219921-94-5, Repaglinide related compound a, (s)-3-methyl-1-(2-piperidinophenyl)butylamine n-acetyl-l-glutamate, (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine, n-acetyl-glutamate salt, 1u5q8kd140, (s)-3-methyl-1-(2-piperidinophenyl)butylamine n-acetylglutamate salt

Molecular Formula

C₂₃H₃₇N₃O₅

Molecular Weight

435.6 g/mol

InChI Key

YPDMBMNFFPWTOV-NXMISADUSA-N

FDA UNII

1U5Q8KD140

1 2D Structure

CAS 219921-94-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-acetamidopentanedioic acid;(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

2.1.2 InChI

InChI=1S/C16H26N2.C7H11NO5/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18;1-4(9)8-5(7(12)13)2-3-6(10)11/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t15-;5-/m00/s1

2.1.3 InChI Key

YPDMBMNFFPWTOV-NXMISADUSA-N

2.1.4 Canonical SMILES

CC(C)CC(C1=CC=CC=C1N2CCCCC2)N.CC(=O)NC(CCC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)N.CC(=O)N[C@@H](CCC(=O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

1U5Q8KD140

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 219921-94-5

2. Repaglinide Related Compound A

3. (s)-3-methyl-1-(2-piperidinophenyl)butylamine N-acetyl-l-glutamate

4. (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine, N-acetyl-glutamate Salt

5. 1u5q8kd140

6. (s)-3-methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate Salt

7. (2s)-2-acetamidopentanedioic Acid;(1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

8. (1s)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine N-acetyl-l-glutamate

9. 3-methyl-1-(2-piperidinophenyl)-1-butylamine, (s)-, N-acetyl-l-glutamate

10. (1s)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine; (2s)-2-acetamidopentanedioic Acid

11. (s)-3-methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate

12. Mfcd09840998

13. Unii-1u5q8kd140

14. Dtxsid50176421

15. Bcp04251

16. Repaglinide Related Compound A [usp]

17. (s)-3-methyl-1-[2-(1-piperidinyl)phenyl]butylamine N-acetyl-l-glutamate Salt

18. Akos015919997

19. Ds-1077

20. (2s)-2-acetamidopentanedioic Acid,(1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

21. Ac-23929

22. Repaglinide Related Compound A Rs [usp]

23. A25000

24. Ec 606-883-4

25. O10220

26. Repaglinide Related Compound A [usp-rs]

27. J-014399

28. Q27252888

29. Repaglinide Related Compound A [usp Impurity]

30. (s)-3-methyl-1-(2-piperidinophenyl)butylaminen-acetyl-l-glutamate

31. 3-methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate Salt

32. (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine N-acetyl-glutamate Salt

33. (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine,n-acetyl-glutamate Salt

34. N-acetyl-l-glutamate(s)-3-methyl-1-(2-piperidinophenyl)-1-butylamine

35. (2s)-2-acetamidopentanedioic Acid; (1s)-3-methyl-1-[2-(1-piperidyl)phenyl]butan-1-amine

36. (s)-3-methyl-1-(2-piperidine-1-phenyl)butylamine Compound With N-acetyl-l-glutamic Acid

37. L-glutamic Acid, N-acetyl-, Compd. With (.alpha.s)-.alpha.-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)

38. L-glutamic Acid, N-acetyl-, Compd. With (alphas)-alpha-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)

2.4 Create Date

2012-05-21

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₇N₃O₅
Molecular Weight	435.6 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	435.27332129 g/mol
Monoisotopic Mass	435.27332129 g/mol
Topological Polar Surface Area	133 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	458
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	2

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Shodhana Laboratories

Shodhana continues to entrench its position on R&D, scale-up and commercialization of APIs, with supplies to 50+ countries.

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Repaglinide

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CAS Number

219921-94-5

Intermediate Name

(S)-3-Methyl-1-(2-piperidin-1-ylphe...

About the Company

Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...

Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.

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Anhui HaiKang Pharmaceutical Co. Lt...

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Ibrutinib

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219921-94-5

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(S)-3-methyl-1-(2-piperidinyl)pheny...

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Anhui Haikang Pharmaceutical Co., Ltd. was established in 2009 and located in a High-tech industry park, ...

Anhui Haikang Pharmaceutical Co., Ltd. was established in 2009 and located in a High-tech industry park, Anqing City, Anhui Province---a famous historical and cultural city in China, adjacent to SINOPEC Anqing Branch. This industry park has been declared as a national chemical industry park, providing a strong impetus and solid guarantee for the future development of us. As a production base, Anhui Haikang provides sufficient high-quality pharmaceutical and chemical products.

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Saintsun Pharma

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219921-94-5

Intermediate Name

(S, S')-3-METHYL-1-(2-PIPERIDINOPHE...

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SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Interm...

SAINTSUN PHARMA, we are engaging mainly in the manufacturing and distributing APIs, Pharmaceutical Intermediates, Chemicals, Formulations, Medical supplies, etc... With a self-owned brand of "SAINTSUN PHARMA", after more than 12 years efforts, our products are successfully expanded to different continents like Asia, South America, Africa more than 35 countries and regions.

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