5-((5-Aminopentyl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate

Catalog No. :
ACJLGJ789
CAS No. :
383912-87-6
Molecular Formula :
C30H34N4O4
Molecular Weight :
514.63

IUPAC Name:5-((5-aminopentyl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate

5-((5-Aminopentyl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate structure diagram
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Product Information

Product Name5-((5-Aminopentyl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate
IUPAC Name5-((5-aminopentyl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate
Molecular FormulaC30H34N4O4
Molecular Weight514.63
SMILESO=C([O-])C=1C=C(C=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(C)C)N(C)C)C(=O)NCCCCCN
InChI KeyGGMFTOCYWNYUSU-UHFFFAOYSA-N
SynonymXanthylium,9-[4-[[(5-aminopentyl)amino]carbonyl]-2-carboxyphenyl]-3,6-bis(dimethylamino)-, inner salt
CAS No.383912-87-6

Synthetic Route by SureRoute

1. ACJLGJ789 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACJLGJ789 route product structure diagram
    ACJLGJ789383912-87-6
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2. ACJLGJ789 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACJLGJ789 route product structure diagram
    ACJLGJ789383912-87-6
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