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Substance Name: CGS 21680C
RN: 120225-64-1
InChIKey: NRYCRDCUHXETEK-MJWSIIAUSA-N

Molecular Formula

  • C23-H29-N7-O6.Na

Molecular Weight

  • 522.5151
 
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Names and Synonyms

Results Name

  • CGS 21680C

Synonym

  • CGS 21680C

Systematic Name

  • Benzenepropanoic acid, 4-(2-((6-amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 120225-64-1

System Generated Number

  • 0120225641

Molecular Formulas

Molecular Formula

  • C23-H29-N7-O6.Na

Molecular Formula Fragments

  • C23-H29-N7-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H29N7O6.Na/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32;/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29);/q;+1/t16-,17+,18-,22+;/m0./s1

InChIKey

NRYCRDCUHXETEK-MJWSIIAUSA-N

Smiles

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O.[Na+]