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ACTIVE PHARMA INGREDIENTS

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Also known as: 92921-24-9, Sulfo-smcc sodium, Sodium 1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexanecarbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate, Sulfo-smcc (sodium), Sulfo-smcc crosslinker, Hh32d7tn36

Molecular Formula

C₁₆H₁₇N₂NaO₉S

Molecular Weight

436.4 g/mol

InChI Key

VUFNRPJNRFOTGK-UHFFFAOYSA-M

FDA UNII

HH32D7TN36

1 2D Structure

Sulfo-Smcc

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonate

2.1.2 InChI

InChI=1S/C16H18N2O9S.Na/c19-12-5-6-13(20)17(12)8-9-1-3-10(4-2-9)16(23)27-18-14(21)7-11(15(18)22)28(24,25)26;/h5-6,9-11H,1-4,7-8H2,(H,24,25,26);/q;+1/p-1

2.1.3 InChI Key

VUFNRPJNRFOTGK-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

HH32D7TN36

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Sulfosuccinimidyl 4-(n-maleimidomethyl)cyclohexane-1-carboxylate

2.3.2 Depositor-Supplied Synonyms

1. 92921-24-9

2. Sulfo-smcc Sodium

3. Sodium 1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexanecarbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate

4. Sulfo-smcc (sodium)

5. Sulfo-smcc Crosslinker

6. Hh32d7tn36

7. 92921-24-9 (sodium)

8. Sodium 1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexane-1-carbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate

9. Sulfo-n-succinimidyl 4-(maleimidomethyl)cyclohexane-1-carboxylate Sodium Salt

10. 4-(maleimidomethyl)cyclohexane-1-carboxylic Acid 3-sulfo-n-hydroxysuccinimide Ester Sodium Salt

11. 3-pyrrolidinesulfonic Acid, 1-(((4-((2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)methyl)cyclohexyl)carbonyl)oxy)-2,5-dioxo-, Sodium Salt

12. Cyclohexanecarboxylic Acid, 4-((2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)methyl)-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl Ester, Sodium Salt (1:1)

13. Sodium;1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonate

14. Sulfo-smcc Sodium Salt

15. Unii-hh32d7tn36

16. Schembl18344257

17. Dtxsid80404961

18. Hy-d0975

19. Mfcd00054978

20. Akos022186734

21. Sulphosuccinimidyl-4-(n-maleimidomethyl)cyclohexane-1-carboxylate Sodium Salt

22. Cs-7553

23. Sb19635

24. Ac-33930

25. As-11382

26. Bp-22644

27. Bp-24304

28. Ft-0674774

29. S0883

30. H10470

31. 3-sulfo-n-succinimidyl 4-(n-maleimidomethyl)cyclohexane-1-carboxylate Sodium Salt

32. Sulfo-n-succinimidyl 4-(maleimidomethyl)cyclohexane-1-carboxylate, Sodium Salt, 90%

33. Sulfo-n-succinimidyl 4-(maleimidomethyl)cyclohexane-1-carboxylate, Sodium Salt, 90per Cent

34. 4-(2,5-dioxo-1h-pyrrole-1-ylmethyl)cyclohexanecarboxylic Acid 3-(sodiosulfo)-2,5-dioxopyrrolizino

35. 4-(n-maleimidomethyl)cyclohexane-1-carboxylic Acid 3-sulfo-n-hydroxysuccinimide Ester Sodium Salt, Powder

36. 4beta-[(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-yl)methyl]cyclohexane-1alpha-carboxylic Acid 3-(sodiosulfo)succinimidyl Ester

37. Sodium 1-{4-[(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl]cyclohexanecarbonyloxy}-2,5-dioxopyrrolidine-3-sulfonate

38. Sodium1-((4-((2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl)cyclohexanecarbonyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate

2.4 Create Date

2005-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇N₂NaO₉S
Molecular Weight	436.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	436.05524558 g/mol
Monoisotopic Mass	436.05524558 g/mol
Topological Polar Surface Area	167 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	853
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2