4-(2-(2-(3-(2-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

Catalog No. :: ACJDOL960
CAS No. :: 2192337-05-4
Molecular Formula :: C53H59N3O10S3
Molecular Weight :: 994.27

IUPAC Name:4-(2-(2-(3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

4-(2-(2-(3-(2-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate structure diagram

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Product Name	4-(2-(2-(3-(2-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
IUPAC Name	4-(2-(2-(3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
Molecular Formula	C53H59N3O10S3
Molecular Weight	994.27
SMILES	CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])C4=CC=C5C=CC=CC5=C4C3(C)C)=C2SCCC(=O)ON2C(=O)CCC2=O)N(CCCCS(=O)(=O)O)C2=CC=C3C=CC=CC3=C21
InChI Key	FAWJQYGNQKSEKW-UHFFFAOYSA-N
Synonym	1H-Benz[e]indolium, 2-[2-[3-[2-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]ethylidene]-2-[[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]thio]-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt
CAS No.	2192337-05-4

Synthetic Route by SureRoute

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ACJDOL9602192337-05-4

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ACJDOL9602192337-05-4

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4-(2-(2-(3-(2-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

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Synthetic Route by SureRoute

1. ACJDOL960 Molecular Building Block Synthetic Route

2. ACJDOL960 Molecular Building Block Synthetic Route

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4-(2-(2-(3-(2-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

Product Information

Synthetic Route by SureRoute

4-(2-(2-(2-((2-Carboxyethyl)thio)-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

4-(2-(7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate

ICG-Sulfo-OSu sodium

3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-2-(2-(3-(2-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1H-benzo[e]indol-3-ium

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