2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium- 6-sulfonate | CAS No. 442912-55-2

Basic Information

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CAS Number

442912-55-2

Molecular Formula

C45H47N3O16S4

Molecular Weight

1014.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Solid

SMILES

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CC[N+]1=C(/C=C/C=C/C=C\2/N(CCCCCC(=O)ON3C(=O)CCC3=O)c3c(C2(C)C)c2cc(cc(c2cc3)S(=O)(=O)O)S(=O)(=O)O)C(c2c1ccc1c2cc(cc1S(=O)(=O)[O-])S(=O)(=O)O)(C)C

InChI

InChI=1S/C45H47N3O16S4/c1-6-46-33-18-16-29-31(23-27(65(52,53)54)25-35(29)67(58,59)60)42(33)44(2,3)37(46)13-9-7-10-14-38-45(4,5)43-32-24-28(66(55,56)57)26-36(68(61,62)63)30(32)17-19-34(43)47(38)22-12-8-11-15-41(51)64-48-39(49)20-21-40(48)50/h7,9-10,13-14,16-19,23-26H,6,8,11-12,15,20-22H2,1-5H3,(H3-,52,53,54,55,56,57,58,59,60,61,62,63)

InChIKey

DOMDXTIMIZCSNC-UHFFFAOYSA-N

Complexity

2550

Synonyms & References

English

Cy5.5-SE
sulfo Cy5.5(Et) NHS
2-((1E,3E,5E)-5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
(2Z)-2-[(2E,4E)-5-[3-[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-ethyl-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate
CID 91810980

MDL Number

MFCD28962727

FAQ

What is 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2)?

2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) is a complex organic compound used in pharmaceutical and chemical research. This compound is characterized by its unique molecular structure, which includes multiple sulfur and nitrogen functionalities, making it suitable for a variety of applications.

What are the main uses of 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2)?

2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) is primarily used in pharmaceutical research for its potential in anticancer and antiviral applications. It can also be utilized in other chemical research contexts where its unique molecular structure and functional groups are advantageous.

Is 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) safe?

2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) is generally safe when handled with appropriate precautions. Users should follow standard safety guidelines, including the use of personal protective equipment and proper ventilation. Exposure to this compound should be minimized, and spillages should be cleaned up carefully.

How should 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) be stored?

2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Proper storage conditions help maintain the stability and efficacy of the compound.

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2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium- 6-sulfonate | CAS No. 442912-55-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Chemical Properties

SMILES

InChI

InChIKey

Complexity

Synonyms & References

English

MDL Number

FAQ

What is 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2)?

What are the main uses of 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2)?

Is 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) safe?

How should 2-[(1E,3E,5Z)-5-(3-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indolium-6-sulfonate (CAS: 442912-55-2) be stored?

Related Compounds

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