Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Theophylline, 7-(2-(4-(p-chlorobenzyl)-1-piperazinyl)ethyl)-
RN: 19971-80-3
InChIKey: MSCBOUJTRMBGHM-UHFFFAOYSA-N

Molecular Formula

  • C20-H25-Cl-N6-O2

Molecular Weight

  • 416.9105
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-26-14-00016 (Beilstein Handbook Reference)
  • 7-(2-(4-(p-Chlorobenzyl)-1-piperazinyl)ethyl)theophylline
  • BRN 0591099

Systematic Name

  • Theophylline, 7-(2-(4-(p-chlorobenzyl)-1-piperazinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 19971-80-3

System Generated Number

  • 0019971803

Structure Descriptors

InChI

1S/C20H25ClN6O2/c1-23-18-17(19(28)24(2)20(23)29)27(14-22-18)12-11-25-7-9-26(10-8-25)13-15-3-5-16(21)6-4-15/h3-6,14H,7-13H2,1-2H3

InChIKey

MSCBOUJTRMBGHM-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCN3CCN(Cc4ccc(Cl)cc4)CC3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 29mg/kg (29mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 771, 1969.