2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-diethylazanium,(E)-4-hydroxy-4-oxobut-2-enoate

Modify Date: 2025-11-24 18:50:46

2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-diethylazanium,(E)-4-hydroxy-4-oxobut-2-enoate structure	Common Name	2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-diethylazanium,(E)-4-hydroxy-4-oxobut-2-enoate
	CAS Number	42773-72-8	Molecular Weight	468.54200
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₂N₂O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-(3-ethoxy-2-oxo-3-phenylindol-1-yl)ethyl-diethylazanium,(E)-4-hydroxy-4-oxobut-2-enoate

Molecular Formula	C₂₆H₃₂N₂O₆
Molecular Weight	468.54200
Exact Mass	468.22600
PSA	107.38000
LogP	3.43190
InChIKey	KHERZJSQCRMTKB-WLHGVMLRSA-N
SMILES	CCOC1(c2ccccc2)C(=O)N(CC[NH+](CC)CC)c2ccccc21.O=C([O-])C=CC(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NM3260000

CAS REGISTRY NUMBER :: 42773-72-8

LAST UPDATED :: 198209

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H28-N2-O2.C4-H4-O4.1/2H2-O

MOLECULAR WEIGHT :: 477.57

WISWESSER LINE NOTATION :: T56 BNV DHJ B2N2&2 DO2 DR& &QV1U1VQ &QH 1/2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 21,960,1973

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