8-Ethoxycaffeine

CAS 577-66-2 MFCD00047247

化学结构图

577-66-2
SMILES: CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C

化学属性

Mol. FormulaC10H14N4O3
Mol. Weight238.28

别名和识别编码

Chemical NameCaffeine, 8-ethoxy-
Wiswesser Line NotationT56 BN DN FNVNVJ B1 CO2 F1 H1
Synonym 1H-Purine-2,6-dione, 8-ethoxy-3,7-dihydro-1,3,7-trimethyl- 8-Ethoxycaffeine 8-ethoxycaffeine EOC
CAS Number577-66-2
Beilstein Registry Number0384859
PubChem Substance ID11347
InChIInChI=1S/C10H14N4O3/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3
LabNetwork Molecule IDLN04683173
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安全信息

RTECSEV6510000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04352

TYPE OF TEST            : Heritable translocation test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 15 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 149,189,1985

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Cells - not otherwise specified
DOSE/DURATION           : 12 mmol/L/2H (Continuous)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 12,463,1971

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TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   HEREAY Hereditas (Lund, Sweden).  (Gjoerloffsgatan 121, S-261 34 Landskrona,
   Sweden)  V.1-    1947-  Volume(issue)/page/year: 46,279,1960

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 12 mmol/L
REFERENCE :
   HEREAY Hereditas (Lund, Sweden).  (Gjoerloffsgatan 121, S-261 34 Landskrona,
   Sweden)  V.1-    1947-  Volume(issue)/page/year: 69,35,1971

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 17 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 20 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 60,349,1979

TYPE

系列性分类

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