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Substance Name: Isonipecotic acid, 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)-, ethyl ester
RN: 102395-70-0
InChIKey: TZKLOSMKBJLQIO-UHFFFAOYSA-N

Molecular Formula

  • C35-H40-N2-O3

Molecular Weight

  • 536.712
 
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Names and Synonyms

Synonym

  • Ethyl 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)isonipecotate

Systematic Name

  • Isonipecotic acid, 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 102395-70-0

System Generated Number

  • 0102395700

Structure Descriptors

InChI

1S/C35H40N2O3/c1-2-40-34(39)35(31-12-7-4-8-13-31)21-26-37(27-22-35)32-17-15-30(16-18-32)33(38)14-9-23-36-24-19-29(20-25-36)28-10-5-3-6-11-28/h3-8,10-13,15-19H,2,9,14,20-27H2,1H3

InChIKey

TZKLOSMKBJLQIO-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCN(c2ccc(C(CCC[N@@]3CCC(c4ccccc4)=CC3)=O)cc2)CC1)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11091,