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Also known as: 934826-68-3, Skq1 bromide, Skq1, Skq-1 bromide, 934826-68-3 (bromide), (10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl)triphenylphosphonium bromide

Molecular Formula

C₃₆H₄₂BrO₂P

Molecular Weight

617.6 g/mol

InChI Key

WYHFWTRUGAFNKW-UHFFFAOYSA-M

FDA UNII

7B14500J3E

1 2D Structure

Visomitin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;bromide

2.1.2 InChI

InChI=1S/C36H42O2P.BrH/c1-29-30(2)36(38)31(28-35(29)37)20-12-7-5-3-4-6-8-19-27-39(32-21-13-9-14-22-32,33-23-15-10-16-24-33)34-25-17-11-18-26-34;/h9-11,13-18,21-26,28H,3-8,12,19-20,27H2,1-2H3;1H/q+1;/p-1

2.1.3 InChI Key

WYHFWTRUGAFNKW-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC1=C(C(=O)C(=CC1=O)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

2.2 Other Identifiers

2.2.1 UNII

7B14500J3E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 934826-68-3

2. Skq1 Bromide

3. Skq1

4. Skq-1 Bromide

5. 934826-68-3 (bromide)

6. (10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl)triphenylphosphonium Bromide

7. Skq1 (visomitin), Ethanol Solution

8. 7b14500j3e

9. 2,3-dimethyl-5-(10-(triphenyl-l-5-phosphanyl)decyl)-1,4-benzoquinone Hydrobromide

10. Phosphonium, (10-(4,5-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)decyl)triphenyl-, Bromide (1:1)

11. Skq1(visomitin)

12. Visomitin (skq1)

13. Schembl12231062

14. Unii-7b14500j3e

15. Bcp15201

16. Ex-a2505

17. Mfcd29477502

18. S9729

19. Akos037515539

20. Cs-8068

21. Ac-36103

22. Hy-100474

23. D80700

24. Plastoquinonyl-decyl-triphenylphosphonium Bromide

25. A857620

26. Q27896317

27. Plastoquinonyl-decyl-triphenylphosphonium Bromide [who-dd]

28. 10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;bromide

29. Skq-1;skq 1;visomitin; Pdtp; Plastoquinonyl Decyltriphenyl Phosphonium Bromide

2.4 Create Date

2007-08-20

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₄₂BrO₂P
Molecular Weight	617.6 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	616.21058 g/mol
Monoisotopic Mass	616.21058 g/mol
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	804
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