169280-56-2

Chemistry, 4 End Use API, 29 Related Intermediates

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2 Intermediates

2 Intermediates

Also known as: 169280-56-2, 4-amino-n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-n-(2-methylpropyl)benzenesulfonamide, 4-amino-n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-n-isobutylbenzene-1-sulfonamide, 65p19kz7jj, R-374699, 4-amino-n-((2r,3s)-3-amino-2-hydroxy-4-phenylbutyl)-n-(2-methylpropyl)benzenesulfonamide

Molecular Formula

C₂₀H₂₉N₃O₃S

Molecular Weight

391.5 g/mol

InChI Key

NUMJNKDUHFCFJO-VQTJNVASSA-N

FDA UNII

65P19KZ7JJ

1 2D Structure

169280-56-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C20H29N3O3S/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3/t19-,20+/m0/s1

2.1.3 InChI Key

NUMJNKDUHFCFJO-VQTJNVASSA-N

2.1.4 Canonical SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

2.1.5 Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

2.2 Other Identifiers

2.2.1 UNII

65P19KZ7JJ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 169280-56-2

2. 4-amino-n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-n-(2-methylpropyl)benzenesulfonamide

3. 4-amino-n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-n-isobutylbenzene-1-sulfonamide

4. 65p19kz7jj

5. R-374699

6. 4-amino-n-((2r,3s)-3-amino-2-hydroxy-4-phenylbutyl)-n-(2-methylpropyl)benzenesulfonamide

7. 4-amino-n-((2r,3s)-3-amino-2-hydroxy-4-phenylbutyl)-n-isobutylbenzene-1-sulfonamide

8. 4-amino-n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-n-isobutylbenzenesulfonamide

9. Ec 458-140-7

10. Unii-65p19kz7jj

11. Schembl1051190

12. Darunavir Metabolite M19

13. Dtxsid40432427

14. Amy39010

15. Bcp08466

16. Mfcd16251177

17. Zinc34012170

18. Akos015901571

19. Benzenesulfonamide, 4-amino-n-((2r,3s)-3-amino-2-hydroxy-4-phenylbutyl)-n-(2-methylpropyl)-

20. N-((2r,3s)-3-amino-2-hydroxy-4-phenylbutyl)-n-(2- Methylpropyl)-4-aminobenzenesulfonamide

21. Ds-14175

22. Cs-0021269

23. O11158

24. 280a562

25. A854413

26. R374699

27. J-514438

28. (2r,3s)-n-(3-amino-2-hydroxy-4-phenylbutyl)-n-isobutyl-4-amino-benzenesulfonamide

29. 4-amino-n-((2r,3s)-3-amino-2-hydroxy-4-phenylbutyl)-n-(isobutyl)benzene Sulfonamide

30. 4-amino-n-((2r,3s)-3-amino-2-hydroxy-4-phenylbutyl)-n-isobutylbenzene Sulfonamide

31. 4-amino-n-(2r,3s)(3-amino-2-hydroxy-4-phenylbutyl)-n-isobutyl-benzene Sulfonamide

32. 4-amino-n-(2r,3s)(3-amino-2-hydroxy-4-phenylbutyl)-n-isobutyl-benzenesulfonamide

33. 4-amino-n-(2r,3s)(3-amino-2-hydroxy-4-phenylbutyl)-n-isobutylbenzenesulfonamide

34. 4-amino-n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-n-isobutylbenzene-1-sulfonamidea

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₉N₃O₃S
Molecular Weight	391.5 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	391.19296297 g/mol
Monoisotopic Mass	391.19296297 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	521
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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Amara Labs

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4-AMINO-N-((2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL)-N-...

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CAS Number

169280-56-2

End Use API

Darunavir

About the Company

Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats wit...

Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Mylan and Cipla. We offer Active Pharmaceutical Ingredients, custom synthesis for Domestic, Intermediates for regulated markets with a key focus on new molecules. The manufacturing facility for production is equipped with an ability of producing Active Pharmaceutical Ingredients(API’s) in cGMP standards, with additional facilities of Pilot Plant with a full suite for scaling up and validation of new molecules

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Nantong Chem-land

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China

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Carbonic acid 2,5-dioxo-1-pyrrolidinyl [(3R,3aS,6aR)-he...

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CAS Number

253265-97-3

End Use API

Darunavir

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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.

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Octane Laboratories

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CAS Number

169280-56-2

End Use API

Darunavir

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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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ZCL CHEMICALS LTD

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Benzenesulfonamide, 4-amino-N-[(2R,3S)-3-amino-2-hydrox...

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CAS Number

169280-56-2

End Use API

Darunavir

About the Company

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.

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