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Substance Name: Xanthine, 3-(3-methoxypropyl)-1-methyl-
RN: 94733-92-3
InChIKey: ISZVJFZUAYJZJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O3

Molecular Weight

  • 238.2456
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(3-methoxypropyl)-
  • 3-(3-Methoxypropyl)-1-methylxanthine
  • BRN 0544841
  • M & B 6847

Systematic Name

  • Xanthine, 3-(3-methoxypropyl)-1-methyl-

Registry Numbers

CAS Registry Number

  • 94733-92-3

System Generated Number

  • 0094733923

Structure Descriptors

InChI

1S/C10H14N4O3/c1-13-9(15)7-8(12-6-11-7)14(10(13)16)4-3-5-17-2/h6H,3-5H2,1-2H3,(H,11,12)

InChIKey

ISZVJFZUAYJZJF-UHFFFAOYSA-N

Smiles

COCCCN1C(=O)N(C)C(=O)c2[nH]cnc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 196, 1961.
mouse LD50 oral 210mg/kg (210mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 196, 1961.