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Substance Name: 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-, 2-(dimethylamino)ethyl ester
RN: 40494-40-4
InChIKey: KKVLTTUITAEBQM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O2

Molecular Weight

  • 275.389
 
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Names and Synonyms

Synonyms

  • 6,7,8,9-Tetrahydro-5H-benzocycloheptene-5-acetic acid 2-(dimethylamino)ethyl ester
  • BRN 1992664

Systematic Name

  • 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-, 2-(dimethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 40494-40-4

System Generated Number

  • 0040494404

Structure Descriptors

InChI

1S/C17H25NO2/c1-18(2)11-12-20-17(19)13-15-9-4-3-7-14-8-5-6-10-16(14)15/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3

InChIKey

KKVLTTUITAEBQM-UHFFFAOYSA-N

Smiles

c12[C@@H](CCCCc1cccc2)CC(OCCN(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2800mg/kg (2800mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 2070, 1972.