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Substance Name: Cafaminol [INN]
RN: 30924-31-3
UNII: 0L1S25NC1L
InChIKey: ZGNRRVAPHPANFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N5-O3

Molecular Weight

  • 267.287
 
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Names and Synonyms

Name of Substance

  • Cafaminol
  • Cafaminol [INN]

Synonyms

  • 3,7-Dihydro-8-((2-hydroxyethyl)methylamino)-1,3,7-trimethyl-1H-purine-2,6-dione
  • 4-26-00-03981 (Beilstein Handbook Reference)
  • 8-((2-Hydroxyethyl)methylamino)caffeine
  • 8-(beta-Oxyaethyl)-methylaminocoffein
  • 8-(beta-Oxyaethyl)-methylaminocoffein [German]
  • 8-(beta-Oxyethyl)methylaminocaffeine
  • 8-(N-(2-Hydroxyethyl)-N-methylamino)-1,3,7-trimethyl-2,6(1H,3H)-purindion
  • 8-(N-(2-Hydroxyethyl)methylamino)-1,3,7-trimethylxanthin
  • beta-(Caffeino-(8))-beta-methylaminoethanol
  • BRN 0294509
  • Cafaminol
  • Cafaminolum
  • Cafaminolum [INN-Latin]
  • EINECS 250-390-3
  • G 1
  • Methylcoffanolamine
  • Rhinetten
  • Rhinoptil
  • UNII-0L1S25NC1L

Systematic Names

  • 8-((2-Hydroxyethyl)methylamino)caffeine
  • Cafaminol
  • Caffeine, 8-((2-hydroxyethyl)methylamino)-

Registry Numbers

CAS Registry Number

  • 30924-31-3

FDA UNII

  • 0L1S25NC1L

System Generated Number

  • 0030924313

Structure Descriptors

InChI

1S/C11H17N5O3/c1-13(5-6-17)10-12-8-7(14(10)2)9(18)16(4)11(19)15(8)3/h17H,5-6H2,1-4H3

InChIKey

ZGNRRVAPHPANFI-UHFFFAOYSA-N

Smiles

c12c(n(C)c(n1)N(CCO)C)c(n(C)c(n2C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 700mg/kg (700mg/kg)   German Patent Document. Vol. #1085530,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 105 deg C   EXP
log P (octanol-water) -0.080 (none)   EST
Water Solubility 6.00E+04 mg/L   EXP
Atmospheric OH Rate Constant 5.44E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.