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21590-92-1

21590-92-1 Structure

21590-92-1 Structure
IdentificationBack Directory
[Name]

etomidoline
[CAS]

21590-92-1
[Synonyms]

K 2680
Nonspa
Smedolin
Amidoline
etomidoline
Phthalimidine, 2-ethyl-3-(β-piperidino-p-phenetidino)- (8CI)
2-Ethyl-2,3-dihydro-3-[4-(2-piperidinoethoxy)anilino]-1H-isoindol-1-one
2-Ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-1H-isoindol-1-one
1H-Isoindol-1-one, 2-ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-
[EINECS(EC#)]

244-463-9
[Molecular Formula]

C23H29N3O2
[MDL Number]

MFCD00867691
[MOL File]

21590-92-1.mol
[Molecular Weight]

379.5
Chemical PropertiesBack Directory
[Melting point ]

106-107°
[Boiling point ]

507.34°C (rough estimate)
[density ]

1.1315 (rough estimate)
[refractive index ]

1.6500 (estimate)
[pka]

8.75±0.10(Predicted)
Hazard InformationBack Directory
[Originator]

Smedolin,Yamanouchi,Japan,1976
[Definition]

ChEBI: Etomidoline is an organic molecular entity.
[Manufacturing Process]

31.3 g of 1-oxo-3-(aminophenyl-p-ethoxypiperidino)-isoindoline (0.0892 mol) are dissolved in 500 ml of anhydrous N,N-dimethylformamide. To this solution 5.75 g of NaH (0.105 mol) and 7.24 ml of CH2CH2I (0.0945 mol) are added and the resulted mixture is heated at 70°C for 1 hour, and then poured into an excess of water. 1-oxo-2-ethyl-3-(aminophenyl-p-ethoxypiperidino)- isoindoline (MP 106°C to 107°C) is obtained by crystallization with ligroin.
1-oxo-2-ethyl-3-(iminophenyl-p-ethoxypiperidino)-isoindoline (MP 103°C to 104°C) is obtained as a byproduct with the above compound. This latter compound was reduced to produce 1-oxo-2-ethyl-3-(aminophenyl-p-ethoxypiperidino)-isoindoline.
[Therapeutic Function]

Muscle relaxant
Safety DataBack Directory
[Toxicity]

LD50 in mice (mg/kg): 176 orally; 44.8 i.v. (Giraldi, Mariotti, 1971)
21590-92-1 suppliers list
Company Name: TargetMol Chemicals Inc.
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