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
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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
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CAS No:
308127-43-7
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Formula:
C37H43N2NaO10S2
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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
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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
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CAS No:
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
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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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
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