Compound Q&A

What are the physical and chemical properties of 4-[3-[7-[4-[1-[2-[2-(4-acetamidoanilino)propanoyl]pyrrolidin-1-yl]ethyl]-4',5',6'-triiodo-1'-(3-sulfopropyl)spiro[cyclohexane-1,3'-indole]-2'-ylidene]hepta-1,3,5-trienyl]-5,6,7-triiodo-1,4,4-trimethyl-1H-naphthalen-2-yl]butane-1-sulfonic acid (CAS: 90317-77-4)?

Answer

4-[3-[7-[4-[1-[2-[2-(4-acetamidoanilino)propanoyl]pyrrolidin-1-yl]ethyl]-4',5',6'-triiodo-1'-(3-sulfopropyl)spiro[cyclohexane-1,3'-indole]-2'-ylidene]hepta-1,3,5-trienyl]-5,6,7-triiodo-1,4,4-trimethyl-1H-naphthalen-2-yl]butane-1-sulfonic acid
This compound is a complex organic molecule with a high molecular weight. It crystallizes in a specific form and has poor water solubility. The compound exhibits high reactivity towards nucleophiles due to the presence of multiple halogen atoms and carboxylic acid groups. It also shows significant photoreactivity and can undergo rearrangements under certain conditions.

About

CAS No 90317-77-4
English Name 4-[3-[7-[4-[1-[2-[2-(4-acetamidoanilino)propanoyl]pyrrolidin-1-yl]ethyl]-4',5',6'-triiodo-1'-(3-sulfopropyl)spiro[cyclohexane-1,3'-indole]-2'-ylidene]hepta-1,3,5-trienyl]-5,6,7-triiodo-1,4,4-trimethyl-1H-naphthalen-2-yl]butane-1-sulfonic acid
Molecular Formula C57H68I6N4O8S2
Molecular Weight 1762.7 g/mol
SMILES CC1C2=CC(=C(C(=C2C(C(=C1CCCCS(=O)(=O)O)C=CC=CC=CC=C3C4(CCC(CC4)C(C)N5CCCC5C(=O)C(C)NC6=CC=C(C=C6)NC(=O)C)C7=C(C(=C(C=C7N3CCCS(=O)(=O)O)I)I)I)(C)C)I)I)I
InChIKey ZRPFUYPSSRYVRN-UHFFFAOYSA-N
Last Updated: 2025-10-16 16:48

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