Theophylline, 7-(3-(diethylamino)-2-hydroxypropyl)-

CAS 5096-25-3 MFCD01239313

化学结构图

5096-25-3
SMILES: CCN(CC)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

化学属性

Mol. FormulaC14H23N5O3
Mol. Weight309.42

别名和识别编码

Chemical NameTheophylline, 7-(3-(diethylamino)-2-hydroxypropyl)-
InChIKeyMDBUFZGCCAQYOS-UHFFFAOYSA-N
Synonym 1H-Purine-2,6-dione, 7-(3-(Diethylamino)-2-hydroxypropyl)theophylline
CAS Number5096-25-3
Beilstein Registry Number0625560
PubChem Substance ID199839
InChIInChI=1S/C14H23N5O3/c1-5-18(6-2)7-10(20)8-19-9-15-12-11(19)13(21)17(4)14(22)16(12)3/h9-10,20H,5-8H2,1-4H3
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安全信息

RTECSXH5097900
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 580 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   DIPHAH Dissertationes Pharmaceuticae.  (Warsaw, Poland)  V.1-17, 1949-65.
   For publisher information, see PJPPAA.  Volume(issue)/page/year: 17,475,1965

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