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Substance Name: Theophylline, 7-isopentyl-
RN: 1146-79-8
InChIKey: SUXGNVXVBNEMKX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N4-O2

Molecular Weight

  • 250.3002
 
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Names and Synonyms

Synonyms

  • 7-Isoamyltheophylline
  • 7-Isopentyltheophylline

Systematic Name

  • Theophylline, 7-isopentyl-

Registry Numbers

CAS Registry Number

  • 1146-79-8

System Generated Number

  • 0001146798

Structure Descriptors

InChI

1S/C12H18N4O2/c1-8(2)5-6-16-7-13-10-9(16)11(17)15(4)12(18)14(10)3/h7-8H,5-6H2,1-4H3

InChIKey

SUXGNVXVBNEMKX-UHFFFAOYSA-N

Smiles

CC(C)CCn1cnc2c1c(=O)n(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 211mg/kg (211mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.
mouse LD50 oral 723mg/kg (723mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.