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Substance Name: Caffeine, 8-((2-hydroxypropyl)amino)-
RN: 60595-61-1
InChIKey: TVEWRJQZOLMGPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N5-O3

Molecular Weight

  • 267.287
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-hydroxypropyl)amino)-1,3,7-trimethyl-
  • 5-26-18-00309 (Beilstein Handbook Reference)
  • 8-((2-Hydroxypropyl)amino)caffeine
  • 8-(beta-Oxypropyl)-aminocoffein
  • 8-(beta-Oxypropyl)-aminocoffein [German]
  • BRN 1085614
  • N-gamma-(Caffeino-(8))-aminopropanol-(1)

Systematic Name

  • Caffeine, 8-((2-hydroxypropyl)amino)-

Registry Numbers

CAS Registry Number

  • 60595-61-1

System Generated Number

  • 0060595611

Structure Descriptors

InChI

1S/C11H17N5O3/c1-6(17)5-12-10-13-8-7(14(10)2)9(18)16(4)11(19)15(8)3/h6,17H,5H2,1-4H3,(H,12,13)

InChIKey

TVEWRJQZOLMGPB-UHFFFAOYSA-N

Smiles

c12c(n(C)c(n1)NC[C@@H](C)O)c(n(C)c(n2C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1900mg/kg (1900mg/kg)   German Patent Document. Vol. #1085530,