6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid

Modify Date: 2024-01-10 16:21:47

6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid Structure
6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid structure
Common Name 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
CAS Number 131-28-2 Molecular Weight 445.46200
Density 1.271 g/cm3 Boiling Point 599.3ºC at 760 mmHg
Molecular Formula C23H27NO8 Melting Point N/A
MSDS N/A Flash Point 316.3ºC

 Names

Name 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.271 g/cm3
Boiling Point 599.3ºC at 760 mmHg
Molecular Formula C23H27NO8
Molecular Weight 445.46200
Flash Point 316.3ºC
Exact Mass 445.17400
PSA 103.76000
LogP 2.66880
Vapour Pressure 3.26E-15mmHg at 25°C
Index of Refraction 1.578

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YX5210000
CHEMICAL NAME :
o-Veratric acid, 6-((6-(2-(dimethylamino)ethyl)-2-methoxy-3,4-(methyle nedioxy)phenyl)acetyl )-
CAS REGISTRY NUMBER :
131-28-2
BEILSTEIN REFERENCE NO. :
0371009
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C23-H27-N-O8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - excitement
REFERENCE :
HDTU** "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933 Volume(issue)/page/year: -,-,1933
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958

 Synonyms

6-{[6-(2-dimethylamino-ethyl)-4-methoxy-benzo[1,3]dioxol-5-yl]-acetyl}-2,3-dimethoxy-benzoic acid
6-BOC-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID
1,6-NAPHTHYRIDINE-2,6(5H)-DICARBOXYLIC ACID,7,8-DIHYDRO-,6-(1,1-DIMETHYLETHYL) ESTER
6-{[(1,1-dimethylethyl)oxy]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
6-{[6-(2-Dimethylamino-aethyl)-4-methoxy-benzo[1,3]dioxol-5-yl]-acetyl}-2,3-dimethoxy-benzoesaeure
6-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
7,8-DIHYDRO-5H-[1,6]NAPHTHYRIDINE-2,6-DICARBOXYLIC ACID 6-TERT-BUTYL ESTER