CAS No 21590-92-1 , 1H-Isoindol-1-one,2-ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-

Name: 1H-Isoindol-1-one,2-ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-
Synonyms: Amidoline; Etomidoline;1H-Isoindol-1-one,2-ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-; K 2680; Nonspa;Phthalimidine,2-ethyl-3-(b-piperidino-p-phenetidino)-(8CI); Smedolin;
CAS Registry Number:21590-92-1
Flash Point: 301.2°C
Boiling Point: 574.5°Cat760mmHg
Density: 1.176g/cm³
Refractive index: 1.611
Safety Statements: Poison by ingestion, subcutaneous, and intravenous routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x.
Flash Point: 301.2°C
EINECS: 244-463-9
Molecular Weight: 379.55
InChI: InChI=1/C23H29N3O2/c1-2-26-22(20-8-4-5-9-21(20)23(26)27)24-18-10-12-19(13-11-18)28-17-16-25-14-6-3-7-15-25/h4-5,8-13,22,24H,2-3,6-7,14-17H2,1H3
Molecular Formula: C23H29 N3 O2
Molecular Structure:

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References of 1H-Isoindol-1-one,2-ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-

Title: Etomidoline
CAS Registry Number: 21590-92-1
CAS Name: 2-Ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-1H-isoindol-1-one
Synonyms: 2-ethyl-3-(b-piperidino-p-phenetidino)phthalimidine
Manufacturers' Codes: K-2680
Trademarks: Smedolin (Yamanouchi)
Molecular Formula: C23H29N3O2
Molecular Weight: 379.50
Percent Composition: C 72.79%, H 7.70%, N 11.07%, O 8.43%
Literature References: Anticholinergic antispasmodic. Prepn: N. Giraldi, V. Mariotti, ZA 6705704; eidem, US 3624206 (1968, 1971 both to Erba). Quantitative evaluation in humans: G. Sacchetti et al., Farmaco Ed. Prat. 27, 708 (1972). Spasmolytic properties: M. Takeda, Oyo Yakuri 7, 903 (1973), C.A. 80, 66678 (1974). Pharmacology: M. Takeda et al., ibid. 1073, C.A. 81, 33285 (1974); T. Mukai et al., Jpn. J. Pharmacol. 31, 147 (1981), C.A. 95, 18068 (1981).
Properties: Crystals from ligroin, mp 106-107°. LD50 in mice (mg/kg): 176 orally; 44.8 i.v. (Giraldi, Mariotti, 1971).
Melting point: mp 106-107°
Toxicity data: LD50 in mice (mg/kg): 176 orally; 44.8 i.v. (Giraldi, Mariotti, 1971)
Therap-Cat: Antispasmodic.
Keywords: Antispasmodic.