2-hydroxy-6-methoxy-4-(3,5,7-trihydroxychromenylium-2-yl)phenolate hydrochloride 2-羟基-6-甲氧基-4-(3,5,7-三羟基色烯基-2-基)酚盐盐酸盐

CAS 1429-30-7 MFCD01429307

化学结构图

1429-30-7
SMILES: COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O.[Cl-]

化学属性

Mol. Weight352.74
Mol. FormulaC16H13O7.Cl

别名和识别编码

EC Number215-849-4
Synonym 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium Petunidol chloride; 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride; 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium chloride petunidin
CAS Number1429-30-7
Chemical Name2-hydroxy-6-methoxy-4-(3,5,7-trihydroxychromenylium-2-yl)phenolate hydrochloride
Chemical Name Translation2-羟基-6-甲氧基-4-(3,5,7-三羟基色烯基-2-基)酚盐盐酸盐
InChIKeyQULMBDNPZCFSPR-UHFFFAOYSA-N
LabNetwork Molecule IDLN01305057
PubChem Substance ID73386
InChIInChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H
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安全信息

RTECSDK1280000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   USXXAM United States Patent Document.  (U.S. Patent Office, Box 9,
   Washington, DC 20231)  Volume(issue)/page/year: #4229439

系列性分类

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