Close
4

Athena Athena

X

CAS 169280-56-2 manufacturers and suppliers on PharmaCompass

PharmaCompass
169280-56-2
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 Weight 391.5 g/mol
Molecular Formula C20H29N3O3S
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass391.19296297 g/mol
Monoisotopic Mass391.19296297 g/mol
Topological Polar Surface Area118 Ų
Heavy Atom Count27
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty
Post Enquiry
POST ENQUIRY