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Substance Name: Theophylline, 8-(isopropylamino)-
RN: 73908-78-8
InChIKey: BRSDLGSNKASOJG-UHFFFAOYSA-N

Molecular Formula

  • C10-H15-N5-O2

Molecular Weight

  • 237.2615
 
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Names and Synonyms

Synonym

  • 8-(Isopropylamino)theophylline

Systematic Name

  • Theophylline, 8-(isopropylamino)-

Registry Numbers

CAS Registry Number

  • 73908-78-8

System Generated Number

  • 0073908788

Structure Descriptors

InChI

1S/C10H15N5O2/c1-5(2)11-9-12-6-7(13-9)14(3)10(17)15(4)8(6)16/h5H,1-4H3,(H2,11,12,13)

InChIKey

BRSDLGSNKASOJG-UHFFFAOYSA-N

Smiles

CC(C)Nc1nc2N(C)C(=O)N(C)C(=O)c2[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04371,