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Substance Name: Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-toluoyl)-
RN: 50332-36-0
InChIKey: PIFRCHBZYGGBTB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-O3

Molecular Weight

  • 347.412
 
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Names and Synonyms

Synonyms

  • 5-(p-Toluoyl)-5,6,7,8,9,10-hexahydrocyclohepta(b)-1,3-dioxolo(4,5-f)indole
  • BRN 1033852
  • Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(4-methylbenzoyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50332-36-0

System Generated Number

  • 0050332360

Structure Descriptors

InChI

1S/C22H21NO3/c1-13-6-8-14(9-7-13)22(24)15-4-2-3-5-17-21(15)16-10-19-20(26-12-25-19)11-18(16)23-17/h6-11,15,23H,2-5,12H2,1H3

InChIKey

PIFRCHBZYGGBTB-UHFFFAOYSA-N

Smiles

c12c3c(cc4OCOc4c3)[nH]c1CCCC[C@@H]2C(c1ccc(C)cc1)=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.