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Substance Name: Theophylline, 8-((2-hydroxyethyl)methylamino)-
RN: 117099-47-5
InChIKey: AXUZUPDOONNMJX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N5-O3

Molecular Weight

  • 253.2605
 
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Names and Synonyms

Synonyms

  • 4-26-00-03981 (Beilstein Handbook Reference)
  • 8-((2-Hydroxyethyl)methylamino)theophylline
  • 8-(N-Methyl-N-beta-hydroxyethyl-amino)theophylline
  • BRN 0270074

Systematic Name

  • Theophylline, 8-((2-hydroxyethyl)methylamino)-

Registry Numbers

CAS Registry Number

  • 117099-47-5

System Generated Number

  • 0117099475

Structure Descriptors

InChI

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

InChIKey

AXUZUPDOONNMJX-UHFFFAOYSA-N

Smiles

CN(CCO)c1nc2N(C)C(=O)N(C)C(=O)c2[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6500ug/kg (6.5mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 55, Pg. 507, 1959.