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Substance Name: 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-alpha-methyl-
RN: 57421-31-5
InChIKey: YYJVMDNZCFWWIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-O2

Molecular Weight

  • 218.2942
 
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Names and Synonyms

Synonyms

  • 2-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-yl)propionic acid
  • 4-09-00-02152 (Beilstein Handbook Reference)
  • 6,7,8,9-Tetrahydro-alpha-methyl-5H-benzocycloheptene-5-acetic acid
  • BRN 3304610

Systematic Name

  • 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 57421-31-5

System Generated Number

  • 0057421315

Structure Descriptors

InChI

1S/C14H18O2/c1-10(14(15)16)12-8-4-2-6-11-7-3-5-9-13(11)12/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,15,16)

InChIKey

YYJVMDNZCFWWIV-UHFFFAOYSA-N

Smiles

CC(C1CCCCc2c1cccc2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1623, 1975.