3-Hydroxy-N-(beta-hydroxyphenethyl)-p-cymene-2-carboxamide diacetate

CAS 3894-06-2 MFCD03894062

化学结构图

3894-06-2
SMILES: CC(=O)Oc1c(C(C)C)ccc(C)c1C(=O)NCC(OC(C)=O)c1ccccc1

化学属性

Mol. Weight397.51
Mol. FormulaC23H27NO5

别名和识别编码

Wiswesser Line Notation1Y1&R D1 BOV1 CVM1YR&OV1
Chemical Namep-Cymene-2-carboxamide, 3-hydroxy-N-(beta-hydroxyphenethyl)-, diacetate
Synonym 3-Hydroxy-N-(beta-hydroxyphenethyl)-p-cymene-2-carboxamide diacetate
Beilstein Registry Number2824359
CAS Number3894-06-2
InChIKeyCPURHDZRLPBFRL-UHFFFAOYSA-N
PubChem Substance ID19779
InChIInChI=1S/C23H27NO5/c1-14(2)19-12-11-15(3)21(22(19)29-17(5)26)23(27)24-13-20(28-16(4)25)18-9-7-6-8-10-18/h6-12,14,20H,13H2,1-5H3,(H,24,27)
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安全信息

RTECSGZ5968850 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1012 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 20,506,1965

系列性分类

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