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Substance Name: Moxastine theoclate
RN: 21661-62-1
UNII: J566J1RZ9J
InChIKey: ZAYCRPQFDFUAHF-UHFFFAOYSA-N

Molecular Formula

  • C18-H23-N-O.C6-H7-Cl-N4-O2

Molecular Weight

  • 483.997
 
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Names and Synonyms

Name of Substance

  • Moxastine theoclate

Synonyms

  • 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione compd. with 2-(1,1-diphenylethoxy)-N,N-dimethylethanamine (1:1)
  • Mephenhydrinate
  • N,N-Dimethyl-2-(1,1-diphenylethoxy)ethylamine 8-chlorotheophyllinate
  • Theadryl
  • Theophylline, 8-chloro-, compd. with 2-(1,1-diphenylethoxy)-N,N-dimethylethylamine
  • UNII-J566J1RZ9J

Systematic Names

  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compd. with 2-(1,1-diphenylethoxy)-N,N-dimethylethanamine (1:1)
  • Theophylline, 8-chloro-, compd. with 2-(1,1-diphenylethoxy)-N,N-dimethylethylamine (1:1)

Registry Numbers

CAS Registry Number

  • 21661-62-1

FDA UNII

  • J566J1RZ9J

System Generated Number

  • 0021661621

Molecular Formulas

Molecular Formula

  • C18-H23-N-O.C6-H7-Cl-N4-O2

Molecular Formula Fragments

  • C18-H23-N-O
  • C6-H7-Cl-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO.C7H7ClN4O2/c1-18(20-15-14-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-13H,14-15H2,1-3H3;1-2H3,(H,9,10)

InChIKey

ZAYCRPQFDFUAHF-UHFFFAOYSA-N

Smiles

c12nc(Cl)[nH]c1c(=O)n(C)c(n2C)=O.c1c(cccc1)C(OCCN(C)C)(C)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 280mg/kg (280mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 259, 1972.