(E)-but-2-enedioic acid,octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate

Modify Date: 2024-04-05 13:04:28

(E)-but-2-enedioic acid,octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate structure	Common Name	(E)-but-2-enedioic acid,octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
	CAS Number	123060-44-6	Molecular Weight	644.79500
	Density	N/A	Boiling Point	643.6ºC at 760mmHg
	Molecular Formula	C₃₅H₅₂N₂O₉	Melting Point	N/A
	MSDS	N/A	Flash Point	343.1ºC

Name	(E)-but-2-enedioic acid,octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
Synonym	More Synonyms

Boiling Point	643.6ºC at 760mmHg
Molecular Formula	C₃₅H₅₂N₂O₉
Molecular Weight	644.79500
Flash Point	343.1ºC
Exact Mass	644.36700
PSA	159.54000
LogP	5.24290
Vapour Pressure	1.86E-16mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GY5879400

CAS REGISTRY NUMBER :: 123060-44-6

LAST UPDATED :: 199112

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C31-H48-N2-O6.2C4-H4-O4

MOLECULAR WEIGHT :: 776.97

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

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

REFERENCE :: EJPHAZ European Journal of Pharmacology. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1967- Volume(issue)/page/year: 171,79,1989

octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate

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