(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

Names

[ CAS No. ]:
123060-44-6

[ 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 ]:
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
Hoe 065

Chemical & Physical Properties

[ 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

Toxicological Information

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

Related Compounds

  • 3-(2-(Trifluoromethyl)pyridin-3-yl)thiazolidine
  • 2-(Trifluoromethyl)-3-(3,3,3-trifluoropropoxy)pyridine
  • 3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2-(trifluoromethyl)pyridine
  • 3-(4,4-Difluoropiperidin-1-yl)-4-(trifluoromethyl)pyridine
  • 3-(3,3-Difluoroazetidin-1-yl)-4-(trifluoromethyl)pyridine
  • 3-(3,3-Difluoropyrrolidin-1-yl)-4-(trifluoromethyl)pyridine
  • 3-(4-(Trifluoromethyl)pyridin-3-yl)thiazolidine
  • 4-(Trifluoromethyl)-3-(3,3,3-trifluoropropoxy)pyridine
  • 3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pyridine
  • N,N-Dimethyl-1-(4-(trifluoromethyl)pyridin-3-yl)piperidin-4-amine
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