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Substance Name: Caffeine, 8-(2-hydroxyethylamino)-
RN: 6320-10-1
InChIKey: AWJFREKYPJBFBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N5-O3

Molecular Weight

  • 253.26
 
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Names and Synonyms

Synonyms

  • 5-26-18-00308 (Beilstein Handbook Reference)
  • 8-(2-Hydroxyethylamino)caffeine
  • 8-(beta-Oxyaethyl)-aminocoffein
  • 8-(beta-Oxyaethyl)-aminocoffein [German]
  • BRN 0385019
  • G 5
  • N-beta-(Caffeino-(8))-aminoethanol
  • NSC 32050

Systematic Name

  • Caffeine, 8-(2-hydroxyethylamino)-

Registry Numbers

CAS Registry Number

  • 6320-10-1

System Generated Number

  • 0006320101

Structure Descriptors

InChI

1S/C10H15N5O3/c1-13-6-7(12-9(13)11-4-5-16)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)

InChIKey

AWJFREKYPJBFBG-UHFFFAOYSA-N

Smiles

c12c(n(C)c(n1)NCCO)c(n(C)c(n2C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1200mg/kg (1200mg/kg)   German Patent Document. Vol. #1085530,