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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Polybrene, 28728-55-4, 9011-04-5, Hexadimethrin bromide for protein, 6,3-ionene bromide, 6,3-ionene

Molecular Formula

C₁₃H₃₀Br₂N₂

Molecular Weight

374.20 g/mol

InChI Key

KZKAYEGOIJEWQB-UHFFFAOYSA-N

A synthetic polymer which agglutinates red blood cells. It is used as a heparin antagonist.

1 2D Structure

Hexadimethrine Bromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine

2.1.2 InChI

InChI=1S/C10H24N2.C3H6Br2/c1-11(2)9-7-5-6-8-10-12(3)4;4-2-1-3-5/h5-10H2,1-4H3;1-3H2

2.1.3 InChI Key

KZKAYEGOIJEWQB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCCCCCN(C)C.C(CBr)CBr

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1,5-dimethyl-1,5-diazaundecamethylene Polymethobromide

2. Bromide, Hexadimethrine

3. Hexadimethrine

4. Polybrene

2.2.2 Depositor-Supplied Synonyms

1. Polybrene

2. 28728-55-4

3. 9011-04-5

4. Hexadimethrin Bromide For Protein

5. 6,3-ionene Bromide

6. 6,3-ionene

7. 1,3-dibromopropane;n,n,n',n'-tetramethylhexane-1,6-diamine

8. Ncgc00090921-01

9. Nsc 25133

10. Unii-4c905msk4w

11. Hexadimethrine Bromide [inn]

12. Dsstox_cid_17684

13. Dsstox_rid_79354

14. Dsstox_gsid_37684

15. 4c905msk4w

16. Chebi:5699

17. Schembl1650408

18. Chembl3186282

19. 1,3-dibromopropane; N,n,n',n'-tetramethylhexane-1,6-diamine

20. Tox21_111041

21. Nsc118096

22. Poly((dimethyliminio)hexamethylene(dimethylimino)trimethylene Dibromide)

23. Nsc-118096

24. Poly((dimethyliminio)-1,3-propanediyl(dimethyliminio)-1,6-hexanediyl Dibromide)

25. Ls-14259

26. Wln: 1n1&6n1&1 &e3e/

27. Cas-28728-55-4

28. 1,n,n',n'-tetramethylhexamethylenediamine Polymer

29. 1, N,n,n',n'-tetramethyl-, Polymer With 1,3-dibromopropane

30. N,n',n'-tetramethylhexamethylenediamine-1,3-dibromopropane Copolymer

31. N,n',n'-tetramethylhexamethylenediamine Polymer With 1,3-dibromopropane

32. Propane,3-dibromo-, Polymer With N,n,n',n'-tetramethyl-1,6-hexanediamine

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₃₀Br₂N₂
Molecular Weight	374.20 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	374.07552 g/mol
Monoisotopic Mass	372.07757 g/mol
Topological Polar Surface Area	6.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	90.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2