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Substance Name: Aminoethyl theophylline
RN: 35206-02-1
InChIKey: XUTQHTZFMFGXDJ-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N5-O2

Molecular Weight

  • 223.2347
 
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Names and Synonyms

Results Name

  • Aminoethyl theophylline

Synonyms

  • 5-26-14-00003 (Beilstein Handbook Reference)
  • 7-(2-Aminoethyl)theophylline
  • Aminoaethyl theophyllin
  • Aminoaethyl theophyllin [German]
  • Aminoethyl theophylline
  • BRN 0251762
  • EINECS 252-436-8
  • NSC 250770

Systematic Names

  • 1H-Purine-2,6-dione, 7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl- (9CI)
  • 7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • Theophylline, 7-(2-aminoethyl)-

Registry Numbers

CAS Registry Number

  • 35206-02-1

System Generated Number

  • 0035206021

Structure Descriptors

InChI

1S/C9H13N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4,10H2,1-2H3

InChIKey

XUTQHTZFMFGXDJ-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCN)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 712mg/kg (712mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 649, 1954.