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Substance Name: Theophylline, 8-benzyl-7-(1'-morpholino-2'-amino)ethyl-, hydrochloride
RN: 63906-64-9
InChIKey: RSAUCUXZADAVCE-UHFFFAOYSA-N

Molecular Formula

  • C20-H23-N6-O3.Cl-H

Molecular Weight

  • 434.9253
 
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Names and Synonyms

Synonym

  • AC 3092

Systematic Name

  • Theophylline, 8-benzyl-7-(1'-morpholino-2'-amino)ethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63906-64-9

System Generated Number

  • 0063906649

Molecular Formulas

Molecular Formula

  • C20-H23-N6-O3.Cl-H

Molecular Formula Fragments

  • C20-H23-N6-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N6O3.ClH/c1-23-18-17(19(27)24(2)20(23)28)26(16(13-21)25-8-10-29-11-9-25)15(22-18)12-14-6-4-3-5-7-14;/h3-7,16H,8-13,21H2,1-2H3;1H

InChIKey

RSAUCUXZADAVCE-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Cc3ccccc3)C(CN)N4CCOCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 100mg/kg (100mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
guinea pig LD50 oral 413mg/kg (413mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
mouse LD50 intraperitoneal 82900ug/kg (82.9mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
mouse LD50 intravenous 66800ug/kg (66.8mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
mouse LD50 oral 247mg/kg (247mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
mouse LD50 subcutaneous 126mg/kg (126mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
rat LD50 intraperitoneal 140mg/kg (140mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
rat LD50 intravenous 54400ug/kg (54.4mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
rat LD50 oral 1498mg/kg (1498mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.
rat LD50 subcutaneous 331mg/kg (331mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1113, 1969.