alpha-Methyldopa DL-甲基多巴

CAS 555-29-3 MFCD00555293

化学结构图

555-29-3
SMILES: CC(N)(Cc1ccc(O)c(O)c1)C(=O)O

化学属性

Mol. FormulaC10H13NO4
Mol. Weight211.21
Melting Point300-301 °C
Boiling Point441.6±45.0 °C at 760 mmHg

别名和识别编码

Chemical Namealpha-Methyldopa
Chemical Name Translation DL-甲基多巴
Chemicalbook IDCB2723064
Wiswesser Line NotationQVXZ1&1R CQ DQ
Synonym DL-Methyldopa {LY} DL-Methyldopa {} {LY} DL-Methyldopa {} {} {LY} DL-Methyldopa {} {} {} {LY} DL-Methyldopa {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Methyldopa {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number55-40-3
InChIKeyCJCSPKMFHVPWAR-UHFFFAOYSA-N
PubChem Substance ID4138
InChIInChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)
Canonical SMILESO=C(C(C)(CC1=CC=C(C(O)=C1)O)N)O
MDL NumberMFCD11617932
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安全信息

RTECSAY5940000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5370 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-348,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1317 mg/kg
TOXIC EFFECTS :
   Liver - hepatitis (hepatocellular necrosis), diffuse
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 23,1318,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5710 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-348,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 430 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-348,1989

TYPE OF TEST            : LD50 - Lethal dos

Storage condition

系列性分类

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