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Substance Name: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-
RN: 102585-83-1
InChIKey: REEKMQKPPHFYBM-UHFFFAOYSA-N

Molecular Formula

  • C26-H32-F-N-O3

Molecular Weight

  • 425.541
 
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Names and Synonyms

Synonym

  • 9-(3-(2'-p-Fluorophenyl-2'-dioxolanyl)propyl)-3-phenyl-3-granatanol

Systematic Name

  • 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 102585-83-1

System Generated Number

  • 0102585831

Structure Descriptors

InChI

1S/C26H32FNO3/c27-22-12-10-21(11-13-22)26(30-16-17-31-26)14-5-15-28-23-8-4-9-24(28)19-25(29,18-23)20-6-2-1-3-7-20/h1-3,6-7,10-13,23-24,29H,4-5,8-9,14-19H2

InChIKey

REEKMQKPPHFYBM-UHFFFAOYSA-N

Smiles

C1(c2ccc(F)cc2)(CCCN2[C@@H]3CC(c4ccccc4)(O)C[C@@H]2CCC3)OCCO1

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#11591,