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Substance Name: 4bH-benzo(3,4)cyclobuta(1,2)cyclohepten-4b-ol, 5,6,7,8,9,9a-hexahydro-, cis-
RN: 54881-57-1
InChIKey: JMTSXWGSSWFYNM-WCQYABFASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O

Molecular Weight

  • 188.2684
 
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Names and Synonyms

Synonym

  • cis-5,6,7,8,9,9a-Hexahydro-4bh-benzo(3,4)cyclobuta(1,2)cyclohepten-4b-ol

Systematic Name

  • 4bH-benzo(3,4)cyclobuta(1,2)cyclohepten-4b-ol, 5,6,7,8,9,9a-hexahydro-, cis-

Registry Numbers

CAS Registry Number

  • 54881-57-1

System Generated Number

  • 0054881571

Structure Descriptors

InChI

1S/C13H16O/c14-13-9-5-1-2-7-11(13)10-6-3-4-8-12(10)13/h3-4,6,8,11,14H,1-2,5,7,9H2/t11-,13+/m0/s1

InChIKey

JMTSXWGSSWFYNM-WCQYABFASA-N

Smiles

c1ccc2c(c1)[C@H]3[C@@]2(CCCCC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 577, 1977.