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Substance Name: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(1,4-benzodioxan-2-ylmethyl)-3-phenyl-
RN: 102585-81-9
InChIKey: KTMZFYSWBIJTHZ-UHFFFAOYSA-N

Molecular Formula

  • C23-H27-N-O3

Molecular Weight

  • 365.47
 
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Names and Synonyms

Synonym

  • 9-(1,4-Benzodioxanyl-2-methyl)-3-phenyl-3-granatanol

Systematic Name

  • 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(1,4-benzodioxan-2-ylmethyl)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 102585-81-9

System Generated Number

  • 0102585819

Structure Descriptors

InChI

1S/C23H27NO3/c25-23(17-7-2-1-3-8-17)13-18-9-6-10-19(14-23)24(18)15-20-16-26-21-11-4-5-12-22(21)27-20/h1-5,7-8,11-12,18-20,25H,6,9-10,13-16H2

InChIKey

KTMZFYSWBIJTHZ-UHFFFAOYSA-N

Smiles

N1([C@@H]2CC(c3ccccc3)(O)C[C@@H]1CCC2)C[C@@H]1Oc2c(cccc2)OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11604,