Rampex Labs

CAS 191226-98-9

Chemistry, 1 End Use API, 24 Related Intermediates

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Also known as: 191226-98-9, Tert-butyl ((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate, Tert-butyl n-[(2s,3r)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate, [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic acid tert-butyl ester, [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic acid tert-b, Tert-butyl n-[(1s,2r)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

Molecular Formula

C₂₅H₃₅N₃O₇S

Molecular Weight

521.6 g/mol

InChI Key

CQGKCZKCWMWXQP-XZOQPEGZSA-N

1 2D Structure

CAS 191226-98-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1

2.1.3 InChI Key

CQGKCZKCWMWXQP-XZOQPEGZSA-N

2.1.4 Canonical SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 191226-98-9

2. Tert-butyl ((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate

3. Tert-butyl N-[(2s,3r)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate

4. [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic Acid Tert-butyl Ester

5. [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic Acid Tert-b

6. Tert-butyl N-[(1s,2r)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

7. Tert-butyl (2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-ylcarbamate

8. Tert-butyl ((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitro-phenylsulfonamido)-1-phenylbutan-2-yl)carbamate

9. Schembl1104908

10. Dtxsid80437719

11. Zinc22050767

12. Akos015904187

13. Am84661

14. Ac-27022

15. Tert-butyl ((2s,3r)-3-hydroxy-4-((n-isobutyl-4-nitrophenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

16. Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)(4-nitrobenzene-1-sulfonyl)amino]-1-phenylbutan-2-yl}carbamate

17. 226b989

18. A880383

19. J-012358

20. J-524380

21. ((1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-(4-nitro-benzenesul Fonyl)-amino]-propyl)-carbamic Acid, Tert-butyl Ester

22. (1s,2r)-{1-benzyl-2-hydroxy-3-[isobutyl-(4-nitro-benzenesulfonyl)-amino]-propyl}-carbamic Acid Tert-butyl Ester

23. (1s,2r)-{1-benzyl-2-hydroxy-3-[isobutyl-(4-nitrobenzene Sulfonyl)-amino]propyl}-carbamic Acid Tert-butyl Ester

24. (1s,2r)-tert-butyl N-[1-benzyl-2-hydroxy-3-(n-isobutyl- 4-nitrobenzenesulphonamido)propyl]carbamate

25. [(1s,2r)-3-[[(4-nitrophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid Tert-butylester

26. N-isobutyl-n-[(2r,3s)-2-hydroxy-3-(tert-butoxycarbonylamino)-4-phenylbutyl]-4-nitrobenzenesulfonamide

27. T-butyl((1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(-4-nitrophenyl)sulfonyl]-amino]propyl]carbamate

28. Tert-butyl((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate

29. Tert-butyl(2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-ylcarbamate

30. Tert-butyl[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₅N₃O₇S
Molecular Weight	521.6 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	521.21957164 g/mol
Monoisotopic Mass	521.21957164 g/mol
Topological Polar Surface Area	150 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	803
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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(2S,3S)-1,2-Epoxy-3-(Boc-Amino)-4-Phenylbutane

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CAS Number

CAS-98737-29-2

End Use API

Darunavir

About the Company

We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of...

We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations starting initially by outsourcing our production. In January 2008, our own production became operational and our journey really began. From our inception, we have strived to be the best and work with the best. Our client list comprises of some of the leading API producers within India and abroad. We at Rampex strongly believe that commitment to quality and timely deliveries ensure a very smooth working relationship with all our customers.

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