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Substance Name: 1-Piperazineethanol, alpha-((4-(2,4,7-triamino-6-pteridinyl)phenoxy)methyl)-
RN: 159872-81-8
InChIKey: QKQXJSAEOANDJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N9-O2

Molecular Weight

  • 411.4675
 
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Names and Synonyms

Synonyms

  • 6-(4-(2-Hydroxy-3-(1-piperazinyl)propoxy)phenyl)-2,4,7-triamino-pteridine
  • alpha-((4-(2,4,7-Triamino-6-pteridinyl)phenoxy)methyl)-1-piperazineethanol

Systematic Name

  • 1-Piperazineethanol, alpha-((4-(2,4,7-triamino-6-pteridinyl)phenoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 159872-81-8

System Generated Number

  • 0159872818

Structure Descriptors

InChI

1S/C19H25N9O2/c20-16-14(24-15-17(21)26-19(22)27-18(15)25-16)11-1-3-13(4-2-11)30-10-12(29)9-28-7-5-23-6-8-28/h1-4,12,23,29H,5-10H2,(H6,20,21,22,25,26,27)

InChIKey

QKQXJSAEOANDJB-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2c(nc3c(n2)c(nc(n3)N)N)N)OCC(CN4CCNCC4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5380724,