DL-alpha-Amino-3-carboxy-4-methoxy-hydrocinnamic acid hydrochloride

CAS 3641-44-9 MFCD03641449

化学结构图

3641-44-9
SMILES: COc1ccc(CC(N)C(=O)O)cc1C(=O)O.Cl

化学属性

Mol. Weight275.71
Mol. FormulaC11H13NO5.ClH

别名和识别编码

Wiswesser Line NotationQVYZ1R CVQ DO1 &GH
Chemical NameHydrocinnamic acid, alpha-amino-3-carboxy-4-methoxy-, hydrochloride, DL-
Synonym DL-3-Carboxy-4-methoxyphenylalanine hydrochloride DL-alpha-Amino-3-carboxy-4-methoxy-hydrocinnamic acid hydrochloride Alanine, 3-carboxy-4-methoxyphenyl-, hydrochloride, DL-
CAS Number3641-44-9
InChIKeyCBQVPJZHMOIXNF-UHFFFAOYSA-N
PubChem Substance ID19271
InChIInChI=1S/C11H13NO5.ClH/c1-17-9-3-2-6(4-7(9)10(13)14)5-8(12)11(15)16;/h2-4,8H,5,12H2,1H3,(H,13,14)(H,15,16);1H
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安全信息

RTECSMW5035000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Behavioral - analgesia
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: 8,812,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 683 mg/kg
TOXIC EFFECTS :
   Behavioral - analgesia
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: 8,812,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 10,478,1967

系列性分类

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