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

Catalog No. :: ACGJEH492
CAS No. :: 2260516-09-2
Molecular Formula :: C47H54N6O4S
Molecular Weight :: 799.05

IUPAC Name:4-(2-(7-(3-(6-((2-azidoethyl)amino)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

4-(2-(7-(3-(6-((2-Azidoethyl)amino)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate structure diagram

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Product Information

Product Name	4-(2-(7-(3-(6-((2-Azidoethyl)amino)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
IUPAC Name	4-(2-(7-(3-(6-((2-azidoethyl)amino)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
Molecular Formula	C47H54N6O4S
Molecular Weight	799.05
SMILES	CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS(=O)(=O)[O-])C3=CC=C4C=CC=CC4=C3C2(C)C)N(CCCCCC(=O)NCCN=[N+]=[N-])C2=CC=C3C=CC=CC3=C21
InChI Key	ABJKTOJTICNSQC-UHFFFAOYSA-N
Synonym	1H-Benz[e]indolium, 2-[7-[3-[6-[(2-azidoethyl)amino]-6-oxohexyl]-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt
CAS No.	2260516-09-2

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ACGJEH4922260516-09-2

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ACGJEH4922260516-09-2

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

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Synthetic Route by SureRoute

1. ACGJEH492 Molecular Building Block Synthetic Route

2. ACGJEH492 Molecular Building Block Synthetic Route

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

Product Information

Synthetic Route by SureRoute

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

4-(2-(7-(1,1-dimethyl-3-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

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

4-(2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

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