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Substance Name: Theophylline, 8-(benzylamino)-7-(2-hydroxy-3-(4-(2-hydroxypropyl)-1-piperazinyl)propyl)-, dihydrochloride
RN: 105319-54-8
InChIKey: BSNYXOKFOOYPIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H35-N7-O4.2Cl-H

Molecular Weight

  • 558.5073
 
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Names and Synonyms

Synonym

  • 8-(Benzylamino)-7-(2-hydroxy-3-(4-(2-hydroxypropyl)-1-piperazinyl)propyl)theophylline 2HCl

Systematic Name

  • Theophylline, 8-(benzylamino)-7-(2-hydroxy-3-(4-(2-hydroxypropyl)-1-piperazinyl)propyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 105319-54-8

System Generated Number

  • 0105319548

Molecular Formulas

Molecular Formula

  • C24-H35-N7-O4.2Cl-H

Molecular Formula Fragments

  • C24-H35-N7-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H35N7O4.2ClH/c1-17(32)14-29-9-11-30(12-10-29)15-19(33)16-31-20-21(27(2)24(35)28(3)22(20)34)26-23(31)25-13-18-7-5-4-6-8-18;;/h4-8,17,19,32-33H,9-16H2,1-3H3,(H,25,26);2*1H

InChIKey

BSNYXOKFOOYPIP-UHFFFAOYSA-N

Smiles

CC(CN1CCN(CC1)CC(Cn2c3c(nc2NCc4ccccc4)n(c(=O)n(c3=O)C)C)O)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 500mg/kg (500mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Polish Journal of Pharmacology and Pharmacy. Vol. 38, Pg. 85, 1986.