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Substance Name: Lysine theophylline
RN: 83920-54-1
UNII: O196W99W6K
InChIKey: UBLVUWUKNHKCJJ-ZSCHJXSPSA-N

Note

  • Soluble theophylline.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-N4-O2.C6-H14-N2-O2

Molecular Weight

  • 326.3548
 
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Names and Synonyms

Name of Substance

  • Lysine theophylline

Synonyms

  • EINECS 281-314-7
  • Lysine theophyllinate
  • UNII-O196W99W6K

Systematic Names

  • L-Lysine, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • L-Lysine, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

Registry Numbers

CAS Registry Number

  • 83920-54-1

FDA UNII

  • O196W99W6K

System Generated Number

  • 0083920541

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.C6-H14-N2-O2

Molecular Formula Fragments

  • C6-H14-N2-O2
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.C6H14N2O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4-2-1-3-5(8)6(9)10/h3H,1-2H3,(H,8,9);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

InChIKey

UBLVUWUKNHKCJJ-ZSCHJXSPSA-N

Smiles

[nH]1c2c(nc1)n(C)c(=O)n(C)c2=O.C([C@@H](N)CCCCN)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 366mg/kg (366mg/kg)   British UK Patent Application. Vol. #2100982,