CAS 131-28-2|6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dime

Introduction：Basic information about CAS 131-28-2|6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dime, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Synonyms

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	/
MSDS	/	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
InChIKey	DEXMFYZAHXMZNM-UHFFFAOYSA-N
SMILES	COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC

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

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