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Substance Name: Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline
RN: 102071-23-8
InChIKey: PARSFLNUFKXOJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O.C7-H7-Cl-N4-O2

Molecular Weight

  • 510.0348
 
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Names and Synonyms

Synonyms

  • 3-(Diphenylmethoxymethyl)-1-methylpiperidine chlorotheophylline
  • P 368

Systematic Name

  • Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline

Registry Numbers

CAS Registry Number

  • 102071-23-8

System Generated Number

  • 0102071238

Molecular Formulas

Molecular Formula

  • C20-H25-N-O.C7-H7-Cl-N4-O2

Molecular Formula Fragments

  • C20-H25-N-O
  • C7-H7-Cl-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25NO.C7H7ClN4O2/c1-21-14-8-9-17(15-21)16-22-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-7,10-13,17,20H,8-9,14-16H2,1H3;1-2H3,(H,9,10)

InChIKey

PARSFLNUFKXOJI-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Cl.CN1CCCC(C1)COC(c2ccccc2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 185, 1955.