1-(beta-Dimethylaminoaethyl)-2-ethoxycarbonyl-3-ethoxy-6-chlor-indol-t oluol-4-sulfonat

Modify Date: 2025-09-23 14:49:00

1-(beta-Dimethylaminoaethyl)-2-ethoxycarbonyl-3-ethoxy-6-chlor-indol-t oluol-4-sulfonat structure	Common Name	1-(beta-Dimethylaminoaethyl)-2-ethoxycarbonyl-3-ethoxy-6-chlor-indol-t oluol-4-sulfonat
	CAS Number	77941-23-2	Molecular Weight	511.03100
	Density	N/A	Boiling Point	462.6ºC at 760 mmHg
	Molecular Formula	C₂₄H₃₁ClN₂O₆S	Melting Point	N/A
	MSDS	N/A	Flash Point	233.6ºC

Name	ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate,4-methylbenzenesulfonic acid

Boiling Point	462.6ºC at 760 mmHg
Molecular Formula	C₂₄H₃₁ClN₂O₆S
Molecular Weight	511.03100
Flash Point	233.6ºC
Exact Mass	510.15900
PSA	106.45000
LogP	5.75420
InChIKey	SMEUIVMAOMZIKD-UHFFFAOYSA-N
SMILES	CCOC(=O)c1c(OCC)c2ccc(Cl)cc2n1CCN(C)C.Cc1ccc(S(=O)(=O)O)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL5998462

CHEMICAL NAME :: 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate

CAS REGISTRY NUMBER :: 77941-23-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H23-Cl-N2-O3.C7-H8-O3-S

MOLECULAR WEIGHT :: 511.08

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 226 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2931323

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