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Substance Name: Ambuphylline [USAN]
RN: 5634-34-4
UNII: VOU5V0B772
InChIKey: SEIRRUDMPNNSCY-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N4-O2.C4-H11-N-O

Molecular Weight

  • 269.303
 

Classification Codes

  • Anti-Asthmatic Agents
  • Autonomic Agents
  • Bronchodilator Agents
  • Cardiovascular Agents
  • Diuretic
  • Drug / Therapeutic Agent
  • Peripheral Nervous System Agents
  • Relaxant (Smooth Muscle)
  • Respiratory System Agents
  • Vasodilator Agents
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Names and Synonyms

Name of Substance

  • Ambuphylline
  • Ambuphylline [USAN]

Synonyms

  • 1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1)
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2-amino-2-methyl-1-propanol (1:1)
  • Ambuphylline
  • Bufylline
  • Butaphyllamine
  • Buthoid
  • EINECS 227-077-5
  • Theophylline aminoisobutanol
  • Theophylline compound with 2-amino-2-methyl-1-propanol (1:1)
  • UNII-VOU5V0B772

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2-amino-2-methyl-1-propanol (1:1)
  • 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-amino-2-methylpropan-1-ol (1:1)
  • Theophylline, compd. with 2-amino-2-methyl-1-propanol (1:1)

Mixture Name

  • Nethaphyl

Registry Numbers

CAS Registry Number

  • 5634-34-4

FDA UNII

  • VOU5V0B772

System Generated Number

  • 0005634344

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.C4-H11-N-O

Molecular Formula Fragments

  • C4-H11-N-O
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3

InChIKey

SEIRRUDMPNNSCY-UHFFFAOYSA-N

Smiles

c12c(n(c(=O)n(C)c1=O)C)nc[nH]2.C(CO)(C)(C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Laboratory and Clinical Medicine. Vol. 31, Pg. 1337, 1946.
rabbit LD50 intravenous 163mg/kg (163mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Laboratory and Clinical Medicine. Vol. 31, Pg. 1337, 1946.