Sodium (2R,5R,7R,8R,10R,12aR,14R,15R,15aR,16R)-14-(6-amino-9H-purin-9-yl)-15-fluoro-7-(5-fluoro-4-oxo-1,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-16-hydroxyoctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine-2,10-bis(thiolate) 2,10-dioxide

Catalog No. :
ACQBNI280
CAS No. :
2553413-93-5
Molecular Formula :
C21H20F2N8Na2O10P2S2
Molecular Weight :
754.49

IUPAC Name:sodium (2R,5R,7R,8R,10R,12aR,14R,15R,15aR,16R)-14-(6-amino-9H-purin-9-yl)-15-fluoro-7-(5-fluoro-4-oxo-1,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-16-hydroxyoctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine-2,10-bis(thiolate) 2,10-dioxide

Sodium (2R,5R,7R,8R,10R,12aR,14R,15R,15aR,16R)-14-(6-amino-9H-purin-9-yl)-15-fluoro-7-(5-fluoro-4-oxo-1,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-16-hydroxyoctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine-2,10-bis(thiolate) 2,10-dioxide structure diagram
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Product Information

Product NameSodium (2R,5R,7R,8R,10R,12aR,14R,15R,15aR,16R)-14-(6-amino-9H-purin-9-yl)-15-fluoro-7-(5-fluoro-4-oxo-1,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-16-hydroxyoctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine-2,10-bis(thiolate) 2,10-dioxide
IUPAC Namesodium (2R,5R,7R,8R,10R,12aR,14R,15R,15aR,16R)-14-(6-amino-9H-purin-9-yl)-15-fluoro-7-(5-fluoro-4-oxo-1,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-16-hydroxyoctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine-2,10-bis(thiolate) 2,10-dioxide
MDL No.MFCD34647046
Molecular FormulaC21H20F2N8Na2O10P2S2
Molecular Weight754.49
SMILESNC1=C2N=CN([C@@H]3O[C@@H]4CO[P@@](=O)([S-])O[C@@H]5[C@H](O)[C@@H](CO[P@@](=O)([S-])O[C@H]4[C@H]3F)O[C@H]5N3C=C(F)C4=C3NC=NC4=O)C2=NC=N1.[Na+].[Na+]
InChI KeyDSMDURFDSXGNPW-NZHCJSRUSA-L
SynonymTAK-676;Dazostinag disodium;7-Deazainosine, [P(R)]-2′-deoxy-2′-fluoro-5′-O-[(R)-hydroxymercaptophosphinyl]-P-thioadenylyl-(3′→5′)-7-fluoro-, cyclic (2′→5′)-nucleotide, sodium salt (1:2)
CAS No.2553413-93-5

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACQBNI280 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
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    ACEDMW6126108-23-2 In Stock
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  5. ACQBNI280 route product structure diagram
    ACQBNI2802553413-93-5
Inquiry

2. ACQBNI280 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACAYOL972 route compound structure diagram
    ACAYOL97210060-13-6 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACQBNI280 route product structure diagram
    ACQBNI2802553413-93-5
Inquiry

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