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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-(((3-chlorophenyl)phenylmethyl)amino)propyl)-1,3-dimethyl-, hydrochloride
RN: 72754-71-3
InChIKey: ZHFBGBCJOKOOND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-Cl-N5-O2.Cl-H

Molecular Weight

  • 474.3895
 
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Names and Synonyms

Synonyms

  • 7-(3-(4-Chlorobenzidrilammino)propil)teofiline
  • 7-(3-(4-Chlorobenzidrilammino)propil)teofiline [Italian]
  • Theophylline, 7-(3-(((m-chlorophenyl)phenylmethyl)amino)propyl)-, hydrochloride

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-(((3-chlorophenyl)phenylmethyl)amino)propyl)-1,3-dimethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 72754-71-3

System Generated Number

  • 0072754713

Molecular Formulas

Molecular Formula

  • C23-H24-Cl-N5-O2.Cl-H

Molecular Formula Fragments

  • C23-H24-Cl-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H24ClN5O2.ClH/c1-27-21-20(22(30)28(2)23(27)31)29(15-26-21)13-7-12-25-19(16-8-4-3-5-9-16)17-10-6-11-18(24)14-17;/h3-6,8-11,14-15,19,25H,7,12-13H2,1-2H3;1H

InChIKey

ZHFBGBCJOKOOND-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNC(c3ccccc3)c4cccc(c4)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 561, 1987.
mouse LD50 oral 300mg/kg (300mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 561, 1987.