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Substance Name: Adenosine, N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-
RN: 42188-40-9
InChIKey: IFXYZHSUONQGCU-WVSUBDOOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N6-O5

Molecular Weight

  • 426.4308
 
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Names and Synonyms

Synonyms

  • N(sup 6)-(beta-(5-Hydroxy-indolyl-3)-ethyl)adenosine
  • N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)adenosine

Systematic Name

  • Adenosine, N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-

Registry Numbers

CAS Registry Number

  • 42188-40-9

System Generated Number

  • 0042188409

Structure Descriptors

InChI

1S/C20H22N6O5/c27-7-14-16(29)17(30)20(31-14)26-9-25-15-18(23-8-24-19(15)26)21-4-3-10-6-22-13-2-1-11(28)5-12(10)13/h1-2,5-6,8-9,14,16-17,20,22,27-30H,3-4,7H2,(H,21,23,24)/t14-,16-,17-,20-/m1/s1

InChIKey

IFXYZHSUONQGCU-WVSUBDOOSA-N

Smiles

c1cc2c(cc1O)c(c[nH]2)CCNc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo unreported > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #3901876,