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Substance Name: 7-(3-Chloropropyl)theophylline
RN: 2770-66-3
InChIKey: MORVOYPJRATMRS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-Cl-N4-O2

Molecular Weight

  • 256.6917
 
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Names and Synonyms

Results Name

  • 7-(3-Chloropropyl)theophylline

Synonyms

  • (Chloro-3 propyl)-7 theophylline
  • (Chloro-3 propyl)-7 theophylline [French]
  • 3,7-Dihydro-7-(3-chloropropyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 7-(3-Chloropropyl)theophylline
  • 7-(gamma-Chloropropyl)theophylline
  • EINECS 220-462-9
  • Theophylline, 7-(3-chloropropyl)-

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-chloropropyl)-1,3-dimethyl-
  • 7-(3-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Registry Numbers

CAS Registry Number

  • 2770-66-3

System Generated Number

  • 0002770663

Structure Descriptors

InChI

1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3

InChIKey

MORVOYPJRATMRS-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   French Medicament Patent Document. Vol. #004986M,