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Substance Name: Adenosine, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-
RN: 42188-41-0
InChIKey: XQZBGZWTKLCSSO-QTQZEZTPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N6-O5

Molecular Weight

  • 440.4576
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42188-41-0

System Generated Number

  • 0042188410

Structure Descriptors

InChI

1S/C21H24N6O5/c1-31-12-2-3-14-13(6-12)11(7-23-14)4-5-22-19-16-20(25-9-24-19)27(10-26-16)21-18(30)17(29)15(8-28)32-21/h2-3,6-7,9-10,15,17-18,21,23,28-30H,4-5,8H2,1H3,(H,22,24,25)/t15-,17-,18-,21-/m1/s1

InChIKey

XQZBGZWTKLCSSO-QTQZEZTPSA-N

Smiles

COc1ccc2c(c1)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,