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Substance Name: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-
RN: 102585-82-0
InChIKey: MNXQDSVXDDQGHM-UHFFFAOYSA-N

Molecular Formula

  • C22-H27-N-O

Molecular Weight

  • 321.461
 
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Names and Synonyms

Synonyms

  • 9-Benzyl-3-(p-tolyl)-9-azabicyclo(3.3.1)nonan-3-ol
  • 9-Benzyl-3-p-tolyl-3-granatanol

Systematic Name

  • 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-

Registry Numbers

CAS Registry Number

  • 102585-82-0

System Generated Number

  • 0102585820

Structure Descriptors

InChI

1S/C22H27NO/c1-17-10-12-21(13-11-17)24-22-14-19-8-5-9-20(15-22)23(19)16-18-6-3-2-4-7-18/h2-4,6-7,10-13,19-20,22H,5,8-9,14-16H2,1H3

InChIKey

MNXQDSVXDDQGHM-UHFFFAOYSA-N

Smiles

N1([C@@H]2CC(Oc3ccc(C)cc3)C[C@@H]1CCC2)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14mg/kg (14mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11491,