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Substance Name: Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride
RN: 85461-01-4
InChIKey: XHJIEWYFHPTOEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-Cl2-N7-O2.Cl-H

Molecular Weight

  • 438.3169
 
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Names and Synonyms

Synonyms

  • 7-(2-(2-(2,6-Dichlorophenyl)-3,3-dimethylguanidino)ethyl)theophylline hydrochloride
  • N,N-Dimethyl-N'-(beta-(theophyllinyl-7)ethyl)-N''-(2,6-dichlorophenyl)guanidine hcl

Systematic Name

  • Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 85461-01-4

System Generated Number

  • 0085461014

Molecular Formulas

Molecular Formula

  • C18-H21-Cl2-N7-O2.Cl-H

Molecular Formula Fragments

  • C18-H21-Cl2-N7-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21Cl2N7O2/c1-24(2)17(23-13-11(19)6-5-7-12(13)20)21-8-9-27-10-22-15-14(27)16(28)26(4)18(29)25(15)3/h5-7,10H,8-9H2,1-4H3,(H,21,23)

InChIKey

XHJIEWYFHPTOEI-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC/N=C(\Nc3c(cccc3Cl)Cl)/N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 76mg/kg (76mg/kg)   Russian Pharmacology and Toxicology Vol. 46, Pg. 46, 1983.