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Substance Name: 3-(2-Trifluoromethylbenzylamino)-2-benzhydrylquinuclidine
RN: 135330-43-7
InChIKey: SJOKZBTYGQAZNH-KAYWLYCHSA-N

Note

  • Non-peptide antagonist for substance P receptor.

Molecular Formula

  • C28-H29-F3-N2

Molecular Weight

  • 450.545
 
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Names and Synonyms

Name of Substance

  • 3-(2-Trifluoromethylbenzylamino)-2-benzhydrylquinuclidine

Synonym

  • 3-Tbbq

Systematic Name

  • 1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-(trifluoromethyl)phenyl)methyl)-, cis-(+-)-

Registry Numbers

CAS Registry Number

  • 135330-43-7

System Generated Number

  • 0135330437

Structure Descriptors

InChI

1S/C28H29F3N2/c29-28(30,31)24-14-8-7-13-23(24)19-32-26-22-15-17-33(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,32H,15-19H2/t26-,27-/m1/s1

InChIKey

SJOKZBTYGQAZNH-KAYWLYCHSA-N

Smiles

N12[C@@H]([C@@H](C(CC1)CC2)NCc1c(cccc1)C(F)(F)F)C(c1ccccc1)c1ccccc1