6-((16-((6-Carboxypyridin-2-yl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)methyl)-4-isothiocyanatopicolinic acid

Catalog No. :
ACIUKG028
CAS No. :
2146095-31-8
Molecular Formula :
C27H35N5O8S
Molecular Weight :
589.67

IUPAC Name:6-((16-((6-carboxypyridin-2-yl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)methyl)-4-isothiocyanatopicolinic acid

6-((16-((6-Carboxypyridin-2-yl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)methyl)-4-isothiocyanatopicolinic acid structure diagram
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Product Information

Product Name6-((16-((6-Carboxypyridin-2-yl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)methyl)-4-isothiocyanatopicolinic acid
IUPAC Name6-((16-((6-carboxypyridin-2-yl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)methyl)-4-isothiocyanatopicolinic acid
Molecular FormulaC27H35N5O8S
Molecular Weight589.67
SMILESO=C(O)C1=NC(CN(CCOCCOCC2)CCOCCOCCN2CC3=CC(N=C=S)=CC(C(O)=O)=N3)=CC=C1
InChI KeyPKCFWCMMZOUICG-UHFFFAOYSA-N
SynonymMacropa-NCS;Macropa NCS,MacropaNCS;2-Pyridinecarboxylic acid, 6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-isothiocyanato-;6-((16-((6-carboxypyridin-2-yl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)methyl)-4-isothiocyanatopicolinic acid
CAS No.2146095-31-8

Safety Data

Pictogram
Health hazardToxic
Signal Word
Danger
Hazard Statement(s)
H301-H315-H319-H334-H335
Precautionary Statement(s)
P261-P264-P270-P271-P280-P284-P301+P310+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P342+P311-P362+P364-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACIUKG028 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACIUKG028 route product structure diagram
    ACIUKG0282146095-31-8
Inquiry

2. ACIUKG028 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACIUKG028 route product structure diagram
    ACIUKG0282146095-31-8
Inquiry

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