2-({5-[(2E)-3-(3,4-Dichlorophenyl)-2-propenoyl]-4,7-dimethoxy-1-b enzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyacryla te

Modify Date: 2024-01-24 19:57:31

2-({5-[(2E)-3-(3,4-Dichlorophenyl)-2-propenoyl]-4,7-dimethoxy-1-b enzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyacryla te Structure
2-({5-[(2E)-3-(3,4-Dichlorophenyl)-2-propenoyl]-4,7-dimethoxy-1-b enzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyacryla te structure
Common Name 2-({5-[(2E)-3-(3,4-Dichlorophenyl)-2-propenoyl]-4,7-dimethoxy-1-b enzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyacryla te
CAS Number 26270-58-6 Molecular Weight 580.41100
Density N/A Boiling Point 607.2ºC at 760 mmHg
Molecular Formula C27H27Cl2NO9 Melting Point N/A
MSDS N/A Flash Point 321ºC

 Names

Name 2-({5-[(2E)-3-(3,4-Dichlorophenyl)-2-propenoyl]-4,7-dimethoxy-1-b enzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyacryla te

 Chemical & Physical Properties

Boiling Point 607.2ºC at 760 mmHg
Molecular Formula C27H27Cl2NO9
Molecular Weight 580.41100
Flash Point 321ºC
Exact Mass 579.10600
PSA 135.74000
LogP 5.30510
Vapour Pressure 1.09E-14mmHg at 25°C
InChIKey UOVDJXSJUJNFAN-JVTXGDFZSA-N
SMILES COc1c(C(=O)C=Cc2ccc(Cl)c(Cl)c2)c(OCC[NH+](C)C)c(OC)c2occc12.O=C([O-])C=CC(=O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF6643000
CHEMICAL NAME :
Benzofuran, 5-(3,4-dichlorocinnamoyl)-4,7-dimethoxy-6-(2-dimethyl aminoethoxy)-, maleate
CAS REGISTRY NUMBER :
26270-58-6
LAST UPDATED :
197901
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C24-H23-Cl2-N-O5.C4-H4-O4
MOLECULAR WEIGHT :
592.46
WISWESSER LINE NOTATION :
T56 BOJ FO1 GV1U1R BG DG& HO2N1&1 IO1 &QV1U1VQ -C

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 8,479,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 8,479,1973
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