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Substance Name: 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-methyl-, acetate (ester)
RN: 22168-82-7
InChIKey: SXIKWTUYFPIIKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H39-N-O3

Molecular Weight

  • 413.598
 
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Names and Synonyms

Synonym

  • BRN 1177000

Systematic Name

  • 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-methyl-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 22168-82-7

System Generated Number

  • 0022168827

Structure Descriptors

InChI

1S/C26H39NO3/c1-8-9-10-11-17(2)18(3)20-14-23(29-19(4)28)25-21-16-27(7)13-12-22(21)26(5,6)30-24(25)15-20/h14-15,17-18H,8-13,16H2,1-7H3

InChIKey

SXIKWTUYFPIIKO-UHFFFAOYSA-N

Smiles

C(C)(=O)Oc1cc(cc2c1C=1C[N@@](CCC1C(O2)(C)C)C)[C@@H]([C@@H](CCCCC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: IRRITABILITY

BEHAVIORAL: ATAXIA
Journal of Medicinal Chemistry. Vol. 19, Pg. 445, 1976.