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Substance Name: Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
RN: 1239-54-9
InChIKey: IRTFXFYHQCPNEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N5-O2

Molecular Weight

  • 363.8468
 
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Names and Synonyms

Synonyms

  • 7-(2-(Phenethylamino)ethyl)theophylline hydrochloride
  • 7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid
  • 7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid [German]
  • beta-PT

Systematic Name

  • Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1239-54-9

System Generated Number

  • 0001239549

Structure Descriptors

InChI

1S/C17H21N5O2.ClH/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)11-10-18-9-8-13-6-4-3-5-7-13;/h3-7,12,18H,8-11H2,1-2H3;1H

InChIKey

IRTFXFYHQCPNEH-UHFFFAOYSA-N

Smiles

Cl.CN1C(=O)N(C)c2ncn(CCNCCc3ccccc3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 49mg/kg (49mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 190, 1958.