Compound Q&A

Is Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate (CAS: 172616-80-7) safe?

Answer

Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta
nesulfonate
Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate is generally safe when handled with appropriate precautions. However, it may pose health risks if ingested, inhaled, or contacted with the skin or eyes. It is important to follow safety guidelines, including the use of protective equipment such as gloves and goggles, and to ensure proper ventilation. Storage should be in a secure, labeled container away from direct sunlight and heat sources.

About

English Name Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate
Molecular Formula C46H50ClN2NaO6S2
Molecular Weight 849.47 g/mol
SMILES CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C4=C(/C(=C/C=C/5\C(c6c7ccccc7ccc6N5CCCCS(=O)(=O)[O-])(C)C)/CCC4)Cl)CCCCS(=O)(=O)[O-])C.[Na+]
InChIKey RANIQVAJHXBIAY-UHFFFAOYSA-M
Last Updated: 2025-09-24 08:06

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