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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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CAS Number

593-71-5

End Use API

Darunavir

About the Company

SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...

SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.

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