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Substance Name: Xanthinol
RN: 2530-97-4
UNII: TN1B5910V2
InChIKey: DSFGXPJYDCSWTA-UHFFFAOYSA-N

Molecular Formula

  • C13-H21-N5-O4

Molecular Weight

  • 311.3399
 
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Names and Synonyms

Results Name

  • Xanthinol

Name of Substance

  • Jupal

Synonyms

  • 7-(2-Hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)theophylline
  • UNII-TN1B5910V2
  • Xanthinol

Systematic Name

  • Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)-

Registry Numbers

CAS Registry Number

  • 2530-97-4

FDA UNII

  • TN1B5910V2

Other Registry Numbers

  • 117030-05-4
  • 59496-54-7

System Generated Number

  • 0002530974

Structure Descriptors

InChI

1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3

InChIKey

DSFGXPJYDCSWTA-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN(C)CCO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 718mg/kg (718mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 634, 1973.