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Home > Encyclopedia > 5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-diMethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-diMethyl-1-(4-sulfobutyl)-3H-indoliuM MonosodiuM Salt

5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-diMethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-diMethyl-1-(4-sulfobutyl)-3H-indoliuM MonosodiuM Salt

5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-diMethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-diMethyl-1-(4-sulfobutyl)-3H-indoliuM MonosodiuM Salt structure

5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-diMethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-diMethyl-1-(4-sulfobutyl)-3H-indoliuM MonosodiuM Salt 

structure
  • CAS No:

    308127-43-7

  • Formula:

    C37H43N2NaO10S2

  • Chemical Name:

    5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-diMethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-diMethyl-1-(4-sulfobutyl)-3H-indoliuM MonosodiuM Salt

  • Synonyms:

    DTXSID60747186;Sodium 4-(5-carboxy-2-{(1E,3E,5E,7E)-7-[5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)-1,3-dihydro-2H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate

Description

Dark Yellow Powder

5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-diMethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-diMethyl-1-(4-sulfobutyl)-3H-indoliuM MonosodiuM Salt Basic Attributes

762.86449

762.226

DTXSID60747186

Characteristics

212

6.65360

5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-diMethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-diMethyl-1-(4-sulfobutyl)-3H-indoliuM MonosodiuM Salt Use and Manufacturing

Intermediate in the synthesis of cyanine dyes for fluorescence imaging of tumor hypoxia and as contrast agents for near-IR tumor imaging.

Computed Properties

Molecular Weight:762.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:14
Exact Mass:762.22568220
Monoisotopic Mass:762.22568220
Topological Polar Surface Area:212
Heavy Atom Count:52
Complexity:1520
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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