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ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF, $ API Reference Price

1 API Suppliers
1 USDMF
$ API Reference Price

Synopsis

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Chemistry

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Also known as: 3700-67-2, N,n-dimethyl-n-octadecyloctadecan-1-aminium bromide, 1-octadecanaminium, n,n-dimethyl-n-octadecyl-, bromide, Dimethyl(dioctadecyl)azanium;bromide, Distearyldimethylammonium bromide, Distearyl dimethyl ammonium bromide

Molecular Formula

C₃₈H₈₀BrN

Molecular Weight

631.0 g/mol

InChI Key

PSLWZOIUBRXAQW-UHFFFAOYSA-M

FDA UNII

Z5T47R065A

1 2D Structure

Dimethyldioctadecylammonium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dimethyl(dioctadecyl)azanium;bromide

2.1.2 InChI

InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

PSLWZOIUBRXAQW-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]

2.2 Other Identifiers

2.2.1 UNII

Z5T47R065A

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-octadecanaminium, N,n-dimethyl-n-octadecyl-

2. Ddbas Compound

3. Dimethyl-dioctadecyl-ammonium Bromide

4. Dimethyldioctadecylammonium

5. Dimethyldioctadecylammonium Chloride

6. Dimethyldioctadecylammonium Methyl Sulfate

7. Dimethyldioctadecylammonium Sulfate

8. Dimethyldistearylammonium

9. Dimethyldistearylammonium Bisulfate

10. Dimethyldistearylammonium Bromide

11. Dioctadecyl Dimethylammonium Bromide

12. Dioctadecyldimethylammonium

13. Dioctadecyldimethylammonium Chloride

14. Dioctadecyldimethylammonium Ion

15. Distearyl Dimethyl Ammonium Bromide

16. Distearyldimethylammonium

17. Distearyldimethylammonium Bromide

18. Distearyldimonium

19. Distearyldimonium Chloride

20. Dodab

21. Dsdac Cpd

2.3.2 Depositor-Supplied Synonyms

1. 3700-67-2

2. N,n-dimethyl-n-octadecyloctadecan-1-aminium Bromide

3. 1-octadecanaminium, N,n-dimethyl-n-octadecyl-, Bromide

4. Dimethyl(dioctadecyl)azanium;bromide

5. Distearyldimethylammonium Bromide

6. Distearyl Dimethyl Ammonium Bromide

7. Dioctadecyldimethylammonium Bromide

8. Z5t47r065a

9. 1-octadecanaminium, N,n-dimethyl-n-octadecyl-, Bromide (1:1)

10. Dimethyldistearylammonium Bromide

11. Dsab

12. Einecs 223-037-6

13. Mfcd00041975

14. Unii-z5t47r065a

15. Dimethyldioctadecylazanium Bromide

16. Dsdmab

17. Schembl25636

18. Distearyldimonium Bromide

19. Dtxsid60884005

20. Dimethyl-dioctadecyl-azanium Bromide

21. Dimethyldioctadecylammonium (bromide)

22. Di-n-octadecyldimethylammonium Bromide

23. Akos015833037

24. As-62181

25. Da-17512

26. N,n-distearyl-n,n-dimethylammonium Bromide

27. Bis(octadecyl)dimethylammonium Bromide

28. Cs-0128789

29. D1975

30. Ft-0625134

31. D89966

32. W-106572

33. Q27295043

34. 18:0 Ddab, Dimethyldioctadecylammonium (bromide Salt), Powder

35. 18:0 Ddab, Dimethyldioctadecylammonium (bromide Salt), Chloroform

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₈₀BrN
Molecular Weight	631.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	34
Exact Mass	629.54741 g/mol
Monoisotopic Mass	629.54741 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	391
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Surface-Active Agents

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

Adjuvants, Immunologic

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity. (See all compounds classified as Adjuvants, Immunologic.)

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

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