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Substance Name: Vestphyllin
RN: 102367-57-7
InChIKey: QLXJTYNDIMITEA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H35-N5-O4

Molecular Weight

  • 469.5825
 
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Names and Synonyms

Results Name

  • Vestphyllin

Synonyms

  • 7-(3-Diisobutylamino-2-benzoyloxypropyl)theophylline
  • alpha-((Diisobutylamino)methyl)theophylline-8-ethanol benzoate (ester)
  • Diisobutylaminobenzoyloxypropyl theophylline
  • Vestphyllin

Systematic Name

  • Theophylline-8-ethanol, alpha-((diisobutylamino)methyl)-, benzoate (ester)

Registry Numbers

CAS Registry Number

  • 102367-57-7

System Generated Number

  • 0102367577

Structure Descriptors

InChI

1S/C25H35N5O4/c1-16(2)13-30(14-17(3)4)15-19(34-24(32)18-10-8-7-9-11-18)12-20-26-21-22(27-20)28(5)25(33)29(6)23(21)31/h7-11,16-17,19H,12-15H2,1-6H3,(H,26,27)

InChIKey

QLXJTYNDIMITEA-UHFFFAOYSA-N

Smiles

CC(C)CN(CC(C)C)CC(Cc1[nH]c2c(n1)n(c(=O)n(c2=O)C)C)OC(=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1835mg/kg (1835mg/kg)   Drugs in Japan Vol. 6, Pg. 306, 1982.
mouse LD50 intravenous 273mg/kg (273mg/kg)   Drugs in Japan Vol. 6, Pg. 306, 1982.
mouse LD50 oral 2gm/kg (2000mg/kg)   "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Suppl Exporters' Assoc., 1968Vol. -, Pg. 101, 1968.