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Substance Name: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((1-phenylethyl)amino)carbonyl)oxy)-, 3-(O-methyloxime), (S-(E))-
RN: 145163-77-5
InChIKey: HNGDRTLSEMJBED-HNEYUBDGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O3

Molecular Weight

  • 303.3599
 
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Names and Synonyms

  • 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((1-phenylethyl)amino)carbonyl)oxy)-, 3-(O-methyloxime), (S-(E))-

Registry Numbers

CAS Registry Number

  • 145163-77-5

System Generated Number

  • 0145163775

Structure Descriptors

InChI

1S/C16H21N3O3/c1-13(15-8-4-3-5-9-15)18-16(20)22-19-10-6-7-14(12-19)11-17-21-2/h3-5,7-9,11,13H,6,10,12H2,1-2H3,(H,18,20)/b17-11+/t13-/m0/s1

InChIKey

HNGDRTLSEMJBED-HNEYUBDGSA-N

Smiles

C[C@@H](c1ccccc1)NC(=O)ON2CCC=C(C2)/C=N/OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 519, 1992.