rel-5-((1-((1α,8α,9β)-Bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-yl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate

Catalog No. :
ACERTH628
CAS No. :
1809225-04-4
Molecular Formula :
C42H48N4O8
Molecular Weight :
736.87

IUPAC Name:5-((1-((1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-yl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate

rel-5-((1-((1α,8α,9β)-Bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-yl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate structure diagram
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Product Information

Product Namerel-5-((1-((1α,8α,9β)-Bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-yl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate
IUPAC Name5-((1-((1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-yl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate
Molecular FormulaC42H48N4O8
Molecular Weight736.87
SMILESCN(C)C1=CC=C2C(C3=C(C(=O)[O-])C=C(C(=O)NCCOCCOCCNC(=O)OC[C@@H]4[C@@H]5CCC#CCC[C@@H]54)C=C3)=C3C=CC(N(C)C)=CC3=[O+]C2=C1
InChI KeyVQSHBBYKPSKPBV-NRTMCXJXSA-N
SynonymTAMRA-PEG2-BCN
CAS No.1809225-04-4

Synthetic Route by SureRoute

1. ACERTH628 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACKPTM134 route compound structure diagram
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  4. Then
  5. ACERTH628 route product structure diagram
    ACERTH6281809225-04-4
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2. ACERTH628 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACERTH628 route product structure diagram
    ACERTH6281809225-04-4
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