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Substance Name: Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(m-fluorobenzoyl)-
RN: 50332-30-4
InChIKey: KJXHJMIYSSBZDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-F-N-O3

Molecular Weight

  • 351.375
 
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Names and Synonyms

Synonyms

  • 5-(3-Fluorobenzoyl)-5,6,7,8,9,10-hexahydrocyclohepta(b)-1,3-dioxolo(4,5-f)indole
  • BRN 1038238

Systematic Name

  • Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(m-fluorobenzoyl)-

Registry Numbers

CAS Registry Number

  • 50332-30-4

System Generated Number

  • 0050332304

Structure Descriptors

InChI

1S/C21H18FNO3/c22-13-5-3-4-12(8-13)21(24)14-6-1-2-7-16-20(14)15-9-18-19(26-11-25-18)10-17(15)23-16/h3-5,8-10,14,23H,1-2,6-7,11H2

InChIKey

KJXHJMIYSSBZDU-UHFFFAOYSA-N

Smiles

c12c3c(cc4OCOc4c3)[nH]c1CCCC[C@@H]2C(c1cc(ccc1)F)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 94, 1973.