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Substance Name: Theophylline, 8,8'-ethylmethylenedi-
RN: 73908-74-4
InChIKey: GQNCSFVBQPCHQA-UHFFFAOYSA-N

Molecular Formula

  • C17-H20-N8-O4

Molecular Weight

  • 400.397
 
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Names and Synonyms

Synonyms

  • 8,8'-Ethylmethyleneditheophylline
  • alpha-Ethyl-8,8'-ditheophyllinemethane

Systematic Name

  • Theophylline, 8,8'-ethylmethylenedi-

Registry Numbers

CAS Registry Number

  • 73908-74-4

System Generated Number

  • 0073908744

Structure Descriptors

InChI

1S/C17H20N8O4/c1-6-7(10-18-8-12(20-10)22(2)16(28)24(4)14(8)26)11-19-9-13(21-11)23(3)17(29)25(5)15(9)27/h7H,6H2,1-5H3,(H,18,20)(H,19,21)

InChIKey

GQNCSFVBQPCHQA-UHFFFAOYSA-N

Smiles

CCC(c1[nH]c2c(n1)n(c(=O)n(c2=O)C)C)c3[nH]c4c(n3)n(c(=O)n(c4=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04373,