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Substance Name: 3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-2,4-diphenyl-9-ethynyl-, (endo,endo,syn)-
RN: 68392-66-5
InChIKey: SBDCSSFKGJMKST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H27-N-O2

Molecular Weight

  • 421.537
 
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Names and Synonyms

Synonyms

  • (endo,endo,syn)-3-Benzoyl-2,4-diphenyl-9-ethynyl-3-azabicyclo(3.3.1)nonan-9-ol
  • 3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-9-ethynyl-2,4-diphenyl-, endo-

Systematic Name

  • 3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-2,4-diphenyl-9-ethynyl-, (endo,endo,syn)-

Registry Numbers

CAS Registry Number

  • 68392-66-5

System Generated Number

  • 0068392665

Structure Descriptors

InChI

1S/C29H27NO2/c1-2-29(32)24-19-12-20-25(29)27(22-15-8-4-9-16-22)30(26(24)21-13-6-3-7-14-21)28(31)23-17-10-5-11-18-23/h1,3-11,13-18,24-27,32H,12,19-20H2

InChIKey

SBDCSSFKGJMKST-UHFFFAOYSA-N

Smiles

N1([C@@H]([C@@H]2C(C#C)(O)[C@@H]([C@@H]1c1ccccc1)CCC2)c1ccccc1)C(c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 20, Pg. 1459, 1986.
mouse LD50 intraperitoneal 900mg/kg (900mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 20, Pg. 1459, 1986.